N-[[3-[[[4-(2-cyclopropyl-1,3-oxazol-4-yl)-2-pyridinyl]-(2-hydroxyacetyl)amino]methyl]-4-(5-methoxy-6-methyl-2-pyridinyl)cyclohexyl]methyl]cyclohexanecarboxamide

C35H45N5O5 — CID 164710947

IUPACN-[[3-[[[4-(2-cyclopropyl-1,3-oxazol-4-yl)-2-pyridinyl]-(2-hydroxyacetyl)amino]methyl]-4-(5-methoxy-6-methyl-2-pyridinyl)cyclohexyl]methyl]cyclohexanecarboxamide
SMILESCOc1ccc(C2CCC(CNC(=O)C3CCCCC3)CC2CN(C(=O)CO)c2cc(-c3coc(C4CC4)n3)ccn2)nc1C
InChIInChI=1S/C35H45N5O5/c1-22-31(44-2)13-12-29(38-22)28-11-8-23(18-37-34(43)24-6-4-3-5-7-24)16-27(28)19-40(33(42)20-41)32-17-26(14-15-36-32)30-21-45-35(39-30)25-9-10-25/h12-15,17,21,23-25,27-28,41H,3-11,16,18-20H2,1-2H3,(H,37,43)
InChIKeyMFENHEWFMDVIPH-UHFFFAOYSA-N
MW615.78 g/mol
LogP5.55
Rot. Bonds11

About N-[[3-[[[4-(2-cyclopropyl-1,3-oxazol-4-yl)-2-pyridinyl]-(2-hydroxyacetyl)amino]methyl]-4-(5-methoxy-6-methyl-2-pyridinyl)cyclohexyl]methyl]cyclohexanecarboxamide

N-[[3-[[[4-(2-cyclopropyl-1,3-oxazol-4-yl)-2-pyridinyl]-(2-hydroxyacetyl)amino]methyl]-4-(5-methoxy-6-methyl-2-pyridinyl)cyclohexyl]methyl]cyclohexanecarboxamide (PubChem CID 164710947) has the molecular formula C35H45N5O5 and a molecular weight of 615.78 g/mol. Its IUPAC name is N-[[3-[[[4-(2-cyclopropyl-1,3-oxazol-4-yl)-2-pyridinyl]-(2-hydroxyacetyl)amino]methyl]-4-(5-methoxy-6-methyl-2-pyridinyl)cyclohexyl]methyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[[3-[[[4-(2-cyclopropyl-1,3-oxazol-4-yl)-2-pyridinyl]-(2-hydroxyacetyl)amino]methyl]-4-(5-methoxy-6-methyl-2-pyridinyl)cyclohexyl]methyl]cyclohexanecarboxamide
PubChem CID164710947
Molecular FormulaC35H45N5O5
Molecular Weight615.78 g/mol
Exact Mass615.34
IUPAC NameN-[[3-[[[4-(2-cyclopropyl-1,3-oxazol-4-yl)-2-pyridinyl]-(2-hydroxyacetyl)amino]methyl]-4-(5-methoxy-6-methyl-2-pyridinyl)cyclohexyl]methyl]cyclohexanecarboxamide
SMILESCOc1ccc(C2CCC(CNC(=O)C3CCCCC3)CC2CN(C(=O)CO)c2cc(-c3coc(C4CC4)n3)ccn2)nc1C
InChIInChI=1S/C35H45N5O5/c1-22-31(44-2)13-12-29(38-22)28-11-8-23(18-37-34(43)24-6-4-3-5-7-24)16-27(28)19-40(33(42)20-41)32-17-26(14-15-36-32)30-21-45-35(39-30)25-9-10-25/h12-15,17,21,23-25,27-28,41H,3-11,16,18-20H2,1-2H3,(H,37,43)
InChIKeyMFENHEWFMDVIPH-UHFFFAOYSA-N
XLogP5.55
TPSA130.68 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500615.78
LogP ≤ 55.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[[3-[[[4-(2-cyclopropyl-1,3-oxazol-4-yl)-2-pyridinyl]-(2-hydroxyacetyl)amino]methyl]-4-(5-methoxy-6-methyl-2-pyridinyl)cyclohexyl]methyl]cyclohexanecarboxamide with MolForge

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Related Compounds

[4-[[4-(2-cyclopropyl-1,3-oxazol-4-yl)-2-pyridinyl]-[[4-(5-methoxy-6-methyl-2-pyridinyl)cyclohexyl]methyl]carbamoyl]cyclohexyl] N-[(2S)-1-hydroxypropan-2-yl]carbamate
CID 142431065
[4-[[4-(2-cyclopropyl-1,3-oxazol-4-yl)-2-pyridinyl]-[[4-(5-methoxy-6-methyl-2-pyridinyl)cyclohexyl]methyl]carbamoyl]cyclohexyl] N-(2-methoxyethyl)carbamate
CID 142431217
[4-[[4-(2-cyclopropyl-1,3-oxazol-4-yl)-2-pyridinyl]-[[4-(5-methoxy-6-methyl-2-pyridinyl)cyclohexyl]methyl]carbamoyl]cyclohexyl] 3-hydroxyazetidine-1-carboxylate
CID 135330449
[4-[[4-(2-cyclopropyl-1,3-oxazol-4-yl)-2-pyridinyl]-[[4-(5-methoxy-6-methyl-2-pyridinyl)cyclohexyl]methyl]carbamoyl]cyclohexyl] N-(1-methylpiperidin-4-yl)carbamate
CID 142431017
4-[4-(2-cyclopropyl-1,3-oxazol-4-yl)-2-pyridinyl]-N-[[4-(5-methoxy-6-methyl-2-pyridinyl)cyclohexyl]methyl]-4-[2-(3-methylsulfonylazetidin-1-yl)-2-oxoethyl]cyclohexane-1-carboxamide
CID 175690974
[4-[[4-(2-cyclopropyl-1,3-oxazol-4-yl)-2-pyridinyl]-[[4-(5-methoxy-6-methyl-2-pyridinyl)cyclohexyl]methyl]carbamoyl]cyclohexyl] 3-(oxetan-3-yl)azetidine-1-carboxylate
CID 135330359
[4-[[4-(2-cyclopropyl-1,3-oxazol-4-yl)-2-pyridinyl]-[[4-(5-methoxy-6-methyl-2-pyridinyl)cyclohexyl]methyl]carbamoyl]cyclohexyl] 3-propan-2-ylazetidine-1-carboxylate
CID 135330125
N-[[4-(5-methoxy-6-methyl-2-pyridinyl)cyclohexyl]methyl]-N-[4-(2-propan-2-yl-1,3-oxazol-4-yl)-2-pyridinyl]cyclohexanecarboxamide;methyl 3-methoxyazetidine-1-carboxylate
CID 142431020
[4-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[4-(2-propan-2-yl-1,3-oxazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] N-propan-2-ylcarbamate
CID 152802585
N-[4-(2-cyclopropyl-1,3-thiazol-5-yl)-2-pyridinyl]-4-hydroxy-N-[[4-(5-methoxy-6-methyl-2-pyridinyl)cyclohexyl]methyl]cyclohexane-1-carboxamide
CID 142430938
N-[4-(2-cyclopropyl-1,3-oxazol-4-yl)-2-pyridinyl]-4-hydroxy-N-[[4-[(3Z)-5-methoxy-6-methylhepta-1,3,5-trien-2-yl]cyclohexyl]methyl]cyclohexane-1-carboxamide
CID 146563681
4-[(3-methoxycyclobutanecarbonyl)amino]-N-[[4-(5-methoxy-6-methyl-2-pyridinyl)cyclohexyl]methyl]cyclohexane-1-carboxamide
CID 175691100

Frequently Asked Questions

What is the IUPAC name of N-[[3-[[[4-(2-cyclopropyl-1,3-oxazol-4-yl)-2-pyridinyl]-(2-hydroxyacetyl)amino]methyl]-4-(5-methoxy-6-methyl-2-pyridinyl)cyclohexyl]methyl]cyclohexanecarboxamide?
The IUPAC name of N-[[3-[[[4-(2-cyclopropyl-1,3-oxazol-4-yl)-2-pyridinyl]-(2-hydroxyacetyl)amino]methyl]-4-(5-methoxy-6-methyl-2-pyridinyl)cyclohexyl]methyl]cyclohexanecarboxamide (CID 164710947) is N-[[3-[[[4-(2-cyclopropyl-1,3-oxazol-4-yl)-2-pyridinyl]-(2-hydroxyacetyl)amino]methyl]-4-(5-methoxy-6-methyl-2-pyridinyl)cyclohexyl]methyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[[3-[[[4-(2-cyclopropyl-1,3-oxazol-4-yl)-2-pyridinyl]-(2-hydroxyacetyl)amino]methyl]-4-(5-methoxy-6-methyl-2-pyridinyl)cyclohexyl]methyl]cyclohexanecarboxamide?
The canonical SMILES for N-[[3-[[[4-(2-cyclopropyl-1,3-oxazol-4-yl)-2-pyridinyl]-(2-hydroxyacetyl)amino]methyl]-4-(5-methoxy-6-methyl-2-pyridinyl)cyclohexyl]methyl]cyclohexanecarboxamide is COc1ccc(C2CCC(CNC(=O)C3CCCCC3)CC2CN(C(=O)CO)c2cc(-c3coc(C4CC4)n3)ccn2)nc1C.
What is the InChIKey of N-[[3-[[[4-(2-cyclopropyl-1,3-oxazol-4-yl)-2-pyridinyl]-(2-hydroxyacetyl)amino]methyl]-4-(5-methoxy-6-methyl-2-pyridinyl)cyclohexyl]methyl]cyclohexanecarboxamide?
The InChIKey is MFENHEWFMDVIPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H45N5O5/c1-22-31(44-2)13-12-29(38-22)28-11-8-23(18-37-34(43)24-6-4-3-5-7-24)16-27(28)19-40(33(42)20-41)32-17-26(14-15-36-32)30-21-45-35(39-30)25-9-10-25/h12-15,17,21,23-25,27-28,41H,3-11,16,18-20H2,1-2H3,(H,37,43).
What are the key properties of N-[[3-[[[4-(2-cyclopropyl-1,3-oxazol-4-yl)-2-pyridinyl]-(2-hydroxyacetyl)amino]methyl]-4-(5-methoxy-6-methyl-2-pyridinyl)cyclohexyl]methyl]cyclohexanecarboxamide?
N-[[3-[[[4-(2-cyclopropyl-1,3-oxazol-4-yl)-2-pyridinyl]-(2-hydroxyacetyl)amino]methyl]-4-(5-methoxy-6-methyl-2-pyridinyl)cyclohexyl]methyl]cyclohexanecarboxamide has a molecular weight of 615.78 g/mol, XLogP of 5.55, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[[[4-(2-cyclopropyl-1,3-oxazol-4-yl)-2-pyridinyl]-(2-hydroxyacetyl)amino]methyl]-4-(5-methoxy-6-methyl-2-pyridinyl)cyclohexyl]methyl]cyclohexanecarboxamide is sourced from PubChem (CID 164710947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).