pyridin-2-yl N-[[3-(4-tert-butylbenzoyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-(6-morpholin-4-yl-3-pyridinyl)carbamate

C32H37N5O4 — CID 129158856

IUPACpyridin-2-yl N-[[3-(4-tert-butylbenzoyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-(6-morpholin-4-yl-3-pyridinyl)carbamate
SMILESCC(C)(C)c1ccc(C(=O)N2CC3C(C2)C3CN(C(=O)Oc2ccccn2)c2ccc(N3CCOCC3)nc2)cc1
InChIInChI=1S/C32H37N5O4/c1-32(2,3)23-9-7-22(8-10-23)30(38)36-19-25-26(20-36)27(25)21-37(31(39)41-29-6-4-5-13-33-29)24-11-12-28(34-18-24)35-14-16-40-17-15-35/h4-13,18,25-27H,14-17,19-21H2,1-3H3
InChIKeyMVGAOEYJFYFHDU-UHFFFAOYSA-N
MW555.68 g/mol
LogP4.63
Rot. Bonds6

About pyridin-2-yl N-[[3-(4-tert-butylbenzoyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-(6-morpholin-4-yl-3-pyridinyl)carbamate

pyridin-2-yl N-[[3-(4-tert-butylbenzoyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-(6-morpholin-4-yl-3-pyridinyl)carbamate (PubChem CID 129158856) has the molecular formula C32H37N5O4 and a molecular weight of 555.68 g/mol. Its IUPAC name is pyridin-2-yl N-[[3-(4-tert-butylbenzoyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-(6-morpholin-4-yl-3-pyridinyl)carbamate.

Molecular Properties

Compound Namepyridin-2-yl N-[[3-(4-tert-butylbenzoyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-(6-morpholin-4-yl-3-pyridinyl)carbamate
PubChem CID129158856
Molecular FormulaC32H37N5O4
Molecular Weight555.68 g/mol
Exact Mass555.28
IUPAC Namepyridin-2-yl N-[[3-(4-tert-butylbenzoyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-(6-morpholin-4-yl-3-pyridinyl)carbamate
SMILESCC(C)(C)c1ccc(C(=O)N2CC3C(C2)C3CN(C(=O)Oc2ccccn2)c2ccc(N3CCOCC3)nc2)cc1
InChIInChI=1S/C32H37N5O4/c1-32(2,3)23-9-7-22(8-10-23)30(38)36-19-25-26(20-36)27(25)21-37(31(39)41-29-6-4-5-13-33-29)24-11-12-28(34-18-24)35-14-16-40-17-15-35/h4-13,18,25-27H,14-17,19-21H2,1-3H3
InChIKeyMVGAOEYJFYFHDU-UHFFFAOYSA-N
XLogP4.63
TPSA88.10 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500555.68
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze pyridin-2-yl N-[[3-(4-tert-butylbenzoyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-(6-morpholin-4-yl-3-pyridinyl)carbamate with MolForge

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Related Compounds

4-tert-Butyl-N-{2-[4-(2-methoxy-phenyl)-piperazin-1-yl]-ethyl}-N-pyridin-2-yl-benzamide
CID 10073554
4-Heptyl-N-{2-[4-(2-methoxy-phenyl)-piperazin-1-yl]-ethyl}-N-pyridin-2-yl-benzamide
CID 10436530
2-cyclopropyl-N-[5-(2-ethoxy-6-morpholin-4-yl-4-pyridinyl)-6-methyl-3-pyridinyl]pyridine-4-carboxamide
CID 117610041
2-(cyclopropylmethyl)-4-(6-methoxy-3-pyridinyl)-6-morpholin-4-yl-3H-pyrrolo[3,4-c]pyridin-1-one
CID 134806110
2-benzyl-4-(6-methoxy-3-pyridinyl)-6-morpholin-4-yl-3H-pyrrolo[3,4-c]pyridin-1-one
CID 134806765
[5-[[4-[(2-Ethylpiperidin-1-yl)methyl]benzoyl]amino]pyridin-2-yl] 4-[5-(trifluoromethyl)pyridin-2-yl]piperazine-1-carboxylate
CID 11250352
[5-[[4-[(2-Methylpiperidin-1-yl)methyl]benzoyl]amino]-2-pyridinyl] 4-(5-fluoro-2-pyridinyl)piperazine-1-carboxylate
CID 11284001
[5-[[4-[(2-Ethylpiperidin-1-yl)methyl]benzoyl]amino]-2-pyridinyl] 4-(5-fluoro-2-pyridinyl)piperazine-1-carboxylate
CID 11353309
[5-[[4-[(3-Methylpiperidin-1-yl)methyl]benzoyl]amino]-2-pyridinyl] 4-(5-fluoro-2-pyridinyl)piperazine-1-carboxylate
CID 69540970
[5-[[4-[(4-Methylpiperidin-1-yl)methyl]benzoyl]amino]-2-pyridinyl] 4-(5-fluoro-2-pyridinyl)piperazine-1-carboxylate
CID 69541101
[5-[[4-(Piperidin-1-ylmethyl)benzoyl]amino]-2-pyridinyl] 4-(5-fluoro-2-pyridinyl)piperazine-1-carboxylate
CID 69541123
[4-[[4-(Morpholin-4-ylmethyl)benzoyl]amino]phenyl] 4-(5-fluoro-2-pyridinyl)piperazine-1-carboxylate
CID 69541139

Frequently Asked Questions

What is the IUPAC name of pyridin-2-yl N-[[3-(4-tert-butylbenzoyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-(6-morpholin-4-yl-3-pyridinyl)carbamate?
The IUPAC name of pyridin-2-yl N-[[3-(4-tert-butylbenzoyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-(6-morpholin-4-yl-3-pyridinyl)carbamate (CID 129158856) is pyridin-2-yl N-[[3-(4-tert-butylbenzoyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-(6-morpholin-4-yl-3-pyridinyl)carbamate.
What is the SMILES notation for pyridin-2-yl N-[[3-(4-tert-butylbenzoyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-(6-morpholin-4-yl-3-pyridinyl)carbamate?
The canonical SMILES for pyridin-2-yl N-[[3-(4-tert-butylbenzoyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-(6-morpholin-4-yl-3-pyridinyl)carbamate is CC(C)(C)c1ccc(C(=O)N2CC3C(C2)C3CN(C(=O)Oc2ccccn2)c2ccc(N3CCOCC3)nc2)cc1.
What is the InChIKey of pyridin-2-yl N-[[3-(4-tert-butylbenzoyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-(6-morpholin-4-yl-3-pyridinyl)carbamate?
The InChIKey is MVGAOEYJFYFHDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37N5O4/c1-32(2,3)23-9-7-22(8-10-23)30(38)36-19-25-26(20-36)27(25)21-37(31(39)41-29-6-4-5-13-33-29)24-11-12-28(34-18-24)35-14-16-40-17-15-35/h4-13,18,25-27H,14-17,19-21H2,1-3H3.
What are the key properties of pyridin-2-yl N-[[3-(4-tert-butylbenzoyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-(6-morpholin-4-yl-3-pyridinyl)carbamate?
pyridin-2-yl N-[[3-(4-tert-butylbenzoyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-(6-morpholin-4-yl-3-pyridinyl)carbamate has a molecular weight of 555.68 g/mol, XLogP of 4.63, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-2-yl N-[[3-(4-tert-butylbenzoyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-(6-morpholin-4-yl-3-pyridinyl)carbamate is sourced from PubChem (CID 129158856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).