4-[(3-methoxycyclobutanecarbonyl)amino]-N-[[4-(5-methoxy-6-methyl-2-pyridinyl)cyclohexyl]methyl]cyclohexane-1-carboxamide

C27H41N3O4 — CID 175691100

IUPAC4-[(3-methoxycyclobutanecarbonyl)amino]-N-[[4-(5-methoxy-6-methyl-2-pyridinyl)cyclohexyl]methyl]cyclohexane-1-carboxamide
SMILESCOc1ccc(C2CCC(CNC(=O)C3CCC(NC(=O)C4CC(OC)C4)CC3)CC2)nc1C
InChIInChI=1S/C27H41N3O4/c1-17-25(34-3)13-12-24(29-17)19-6-4-18(5-7-19)16-28-26(31)20-8-10-22(11-9-20)30-27(32)21-14-23(15-21)33-2/h12-13,18-23H,4-11,14-16H2,1-3H3,(H,28,31)(H,30,32)
InChIKeyYQUJNCSIDGOPFQ-UHFFFAOYSA-N
MW471.64 g/mol
LogP3.89
Rot. Bonds8

About 4-[(3-methoxycyclobutanecarbonyl)amino]-N-[[4-(5-methoxy-6-methyl-2-pyridinyl)cyclohexyl]methyl]cyclohexane-1-carboxamide

4-[(3-methoxycyclobutanecarbonyl)amino]-N-[[4-(5-methoxy-6-methyl-2-pyridinyl)cyclohexyl]methyl]cyclohexane-1-carboxamide (PubChem CID 175691100) has the molecular formula C27H41N3O4 and a molecular weight of 471.64 g/mol. Its IUPAC name is 4-[(3-methoxycyclobutanecarbonyl)amino]-N-[[4-(5-methoxy-6-methyl-2-pyridinyl)cyclohexyl]methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[(3-methoxycyclobutanecarbonyl)amino]-N-[[4-(5-methoxy-6-methyl-2-pyridinyl)cyclohexyl]methyl]cyclohexane-1-carboxamide
PubChem CID175691100
Molecular FormulaC27H41N3O4
Molecular Weight471.64 g/mol
Exact Mass471.31
IUPAC Name4-[(3-methoxycyclobutanecarbonyl)amino]-N-[[4-(5-methoxy-6-methyl-2-pyridinyl)cyclohexyl]methyl]cyclohexane-1-carboxamide
SMILESCOc1ccc(C2CCC(CNC(=O)C3CCC(NC(=O)C4CC(OC)C4)CC3)CC2)nc1C
InChIInChI=1S/C27H41N3O4/c1-17-25(34-3)13-12-24(29-17)19-6-4-18(5-7-19)16-28-26(31)20-8-10-22(11-9-20)30-27(32)21-14-23(15-21)33-2/h12-13,18-23H,4-11,14-16H2,1-3H3,(H,28,31)(H,30,32)
InChIKeyYQUJNCSIDGOPFQ-UHFFFAOYSA-N
XLogP3.89
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.64
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[(3-methoxycyclobutanecarbonyl)amino]-N-[[4-(5-methoxy-6-methyl-2-pyridinyl)cyclohexyl]methyl]cyclohexane-1-carboxamide with MolForge

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Related Compounds

4-N-cyclopropyl-1-N-[(3,4-dimethoxyphenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109144703
N-[3-(1-cyclopropylpyrazol-4-yl)phenyl]-4-[(3-methoxycyclobutanecarbonyl)amino]-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]cyclohexane-1-carboxamide
CID 135330592
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
methyl N-[4-[[[3-(1-cyclopropylpyrazol-4-yl)phenyl]-[4-(5-methoxy-6-methyl-2-pyridinyl)cyclohexyl]methyl]carbamoyl]cyclohexyl]carbamate
CID 164711006
1-N-cyclopropyl-4-N-(2-methoxy-5-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109144779
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
4-N-cyclohexyl-1-N-[(2-methoxyphenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109146102
N-[[4-(2-methyl-5-pyridin-2-ylpyrimidin-4-yl)cyclohexyl]methyl]cyclopentanecarboxamide
CID 98063822
[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
N-[3-(1-tert-butylpyrazol-4-yl)phenyl]-4-hydroxy-N-[[4-(5-methoxy-6-methyl-2-pyridinyl)cyclohexyl]methyl]cyclohexane-1-carboxamide
CID 135330025
4-N-cyclopentyl-1-N-[2-(4-methoxyphenoxy)ethyl]cyclohexane-1,4-dicarboxamide
CID 109145817
N-[[5-(2,6-dimethyl-4-pyridinyl)-2-methoxyphenyl]methyl]-4-(methylamino)cyclohexane-1-carboxamide
CID 69165420

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methoxycyclobutanecarbonyl)amino]-N-[[4-(5-methoxy-6-methyl-2-pyridinyl)cyclohexyl]methyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-[(3-methoxycyclobutanecarbonyl)amino]-N-[[4-(5-methoxy-6-methyl-2-pyridinyl)cyclohexyl]methyl]cyclohexane-1-carboxamide (CID 175691100) is 4-[(3-methoxycyclobutanecarbonyl)amino]-N-[[4-(5-methoxy-6-methyl-2-pyridinyl)cyclohexyl]methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-[(3-methoxycyclobutanecarbonyl)amino]-N-[[4-(5-methoxy-6-methyl-2-pyridinyl)cyclohexyl]methyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-[(3-methoxycyclobutanecarbonyl)amino]-N-[[4-(5-methoxy-6-methyl-2-pyridinyl)cyclohexyl]methyl]cyclohexane-1-carboxamide is COc1ccc(C2CCC(CNC(=O)C3CCC(NC(=O)C4CC(OC)C4)CC3)CC2)nc1C.
What is the InChIKey of 4-[(3-methoxycyclobutanecarbonyl)amino]-N-[[4-(5-methoxy-6-methyl-2-pyridinyl)cyclohexyl]methyl]cyclohexane-1-carboxamide?
The InChIKey is YQUJNCSIDGOPFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H41N3O4/c1-17-25(34-3)13-12-24(29-17)19-6-4-18(5-7-19)16-28-26(31)20-8-10-22(11-9-20)30-27(32)21-14-23(15-21)33-2/h12-13,18-23H,4-11,14-16H2,1-3H3,(H,28,31)(H,30,32).
What are the key properties of 4-[(3-methoxycyclobutanecarbonyl)amino]-N-[[4-(5-methoxy-6-methyl-2-pyridinyl)cyclohexyl]methyl]cyclohexane-1-carboxamide?
4-[(3-methoxycyclobutanecarbonyl)amino]-N-[[4-(5-methoxy-6-methyl-2-pyridinyl)cyclohexyl]methyl]cyclohexane-1-carboxamide has a molecular weight of 471.64 g/mol, XLogP of 3.89, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methoxycyclobutanecarbonyl)amino]-N-[[4-(5-methoxy-6-methyl-2-pyridinyl)cyclohexyl]methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 175691100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).