pyridin-3-ylmethyl N-[[4-[[2-[4-(cyclopropylmethyl)piperazin-1-yl]benzoyl]amino]phenyl]methyl]carbamate

C29H33N5O3 — CID 156781175

IUPACpyridin-3-ylmethyl N-[[4-[[2-[4-(cyclopropylmethyl)piperazin-1-yl]benzoyl]amino]phenyl]methyl]carbamate
SMILESO=C(NCc1ccc(NC(=O)c2ccccc2N2CCN(CC3CC3)CC2)cc1)OCc1cccnc1
InChIInChI=1S/C29H33N5O3/c35-28(26-5-1-2-6-27(26)34-16-14-33(15-17-34)20-23-7-8-23)32-25-11-9-22(10-12-25)19-31-29(36)37-21-24-4-3-13-30-18-24/h1-6,9-13,18,23H,7-8,14-17,19-21H2,(H,31,36)(H,32,35)
InChIKeyMYUNXMGJJWLYEZ-UHFFFAOYSA-N
MW499.62 g/mol
LogP4.29
Rot. Bonds9

About pyridin-3-ylmethyl N-[[4-[[2-[4-(cyclopropylmethyl)piperazin-1-yl]benzoyl]amino]phenyl]methyl]carbamate

pyridin-3-ylmethyl N-[[4-[[2-[4-(cyclopropylmethyl)piperazin-1-yl]benzoyl]amino]phenyl]methyl]carbamate (PubChem CID 156781175) has the molecular formula C29H33N5O3 and a molecular weight of 499.62 g/mol. Its IUPAC name is pyridin-3-ylmethyl N-[[4-[[2-[4-(cyclopropylmethyl)piperazin-1-yl]benzoyl]amino]phenyl]methyl]carbamate.

Molecular Properties

Compound Namepyridin-3-ylmethyl N-[[4-[[2-[4-(cyclopropylmethyl)piperazin-1-yl]benzoyl]amino]phenyl]methyl]carbamate
PubChem CID156781175
Molecular FormulaC29H33N5O3
Molecular Weight499.62 g/mol
Exact Mass499.26
IUPAC Namepyridin-3-ylmethyl N-[[4-[[2-[4-(cyclopropylmethyl)piperazin-1-yl]benzoyl]amino]phenyl]methyl]carbamate
SMILESO=C(NCc1ccc(NC(=O)c2ccccc2N2CCN(CC3CC3)CC2)cc1)OCc1cccnc1
InChIInChI=1S/C29H33N5O3/c35-28(26-5-1-2-6-27(26)34-16-14-33(15-17-34)20-23-7-8-23)32-25-11-9-22(10-12-25)19-31-29(36)37-21-24-4-3-13-30-18-24/h1-6,9-13,18,23H,7-8,14-17,19-21H2,(H,31,36)(H,32,35)
InChIKeyMYUNXMGJJWLYEZ-UHFFFAOYSA-N
XLogP4.29
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.62
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze pyridin-3-ylmethyl N-[[4-[[2-[4-(cyclopropylmethyl)piperazin-1-yl]benzoyl]amino]phenyl]methyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

pyridin-3-ylmethyl N-[[4-[(2-piperidin-1-ylbenzoyl)amino]phenyl]methyl]carbamate
CID 156781188
pyridin-3-ylmethyl N-[[4-[[5-fluoro-2-[4-(2-methoxyethyl)piperazin-1-yl]benzoyl]amino]phenyl]methyl]carbamate
CID 156781182
pyridin-3-ylmethyl N-[[4-[[2-(diethylamino)benzoyl]amino]phenyl]methyl]carbamate
CID 156781163
pyridin-3-ylmethyl N-[[4-(hydroxycarbamoyl)phenyl]methyl]carbamate
CID 10990261
4-(cyclopropylmethyl)-N-(pyridin-3-ylmethoxy)piperazine-1-carboxamide
CID 91661392
2-[4-(cyclopropanecarbonylamino)piperidin-1-yl]-N-(pyridin-3-ylmethyl)benzamide
CID 24719003
N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(pyridin-3-ylmethylcarbamoyl)phenyl]naphthalene-1-carboxamide
CID 1054189
2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]benzoic acid
CID 25408292
2-(4-acetylpiperazin-1-yl)-N-pyridin-3-ylbenzamide
CID 123428745
2-[4-[(2-phenoxyacetyl)amino]piperidin-1-yl]-N-(pyridin-3-ylmethyl)benzamide
CID 46037614
5-[(2-fluorobenzoyl)amino]-2-piperidin-1-yl-N-(pyridin-3-ylmethyl)benzamide
CID 1055044
phosphoric acid;pyridin-3-ylmethyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamate
CID 67397836

Frequently Asked Questions

What is the IUPAC name of pyridin-3-ylmethyl N-[[4-[[2-[4-(cyclopropylmethyl)piperazin-1-yl]benzoyl]amino]phenyl]methyl]carbamate?
The IUPAC name of pyridin-3-ylmethyl N-[[4-[[2-[4-(cyclopropylmethyl)piperazin-1-yl]benzoyl]amino]phenyl]methyl]carbamate (CID 156781175) is pyridin-3-ylmethyl N-[[4-[[2-[4-(cyclopropylmethyl)piperazin-1-yl]benzoyl]amino]phenyl]methyl]carbamate.
What is the SMILES notation for pyridin-3-ylmethyl N-[[4-[[2-[4-(cyclopropylmethyl)piperazin-1-yl]benzoyl]amino]phenyl]methyl]carbamate?
The canonical SMILES for pyridin-3-ylmethyl N-[[4-[[2-[4-(cyclopropylmethyl)piperazin-1-yl]benzoyl]amino]phenyl]methyl]carbamate is O=C(NCc1ccc(NC(=O)c2ccccc2N2CCN(CC3CC3)CC2)cc1)OCc1cccnc1.
What is the InChIKey of pyridin-3-ylmethyl N-[[4-[[2-[4-(cyclopropylmethyl)piperazin-1-yl]benzoyl]amino]phenyl]methyl]carbamate?
The InChIKey is MYUNXMGJJWLYEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N5O3/c35-28(26-5-1-2-6-27(26)34-16-14-33(15-17-34)20-23-7-8-23)32-25-11-9-22(10-12-25)19-31-29(36)37-21-24-4-3-13-30-18-24/h1-6,9-13,18,23H,7-8,14-17,19-21H2,(H,31,36)(H,32,35).
What are the key properties of pyridin-3-ylmethyl N-[[4-[[2-[4-(cyclopropylmethyl)piperazin-1-yl]benzoyl]amino]phenyl]methyl]carbamate?
pyridin-3-ylmethyl N-[[4-[[2-[4-(cyclopropylmethyl)piperazin-1-yl]benzoyl]amino]phenyl]methyl]carbamate has a molecular weight of 499.62 g/mol, XLogP of 4.29, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-3-ylmethyl N-[[4-[[2-[4-(cyclopropylmethyl)piperazin-1-yl]benzoyl]amino]phenyl]methyl]carbamate is sourced from PubChem (CID 156781175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).