4-[1-amino-3-(cyclohexylamino)-3-oxopropyl]-N-pyridin-4-ylbenzamide

C21H26N4O2 — CID 67538066

IUPAC4-[1-amino-3-(cyclohexylamino)-3-oxopropyl]-N-pyridin-4-ylbenzamide
SMILESNC(CC(=O)NC1CCCCC1)c1ccc(C(=O)Nc2ccncc2)cc1
InChIInChI=1S/C21H26N4O2/c22-19(14-20(26)24-17-4-2-1-3-5-17)15-6-8-16(9-7-15)21(27)25-18-10-12-23-13-11-18/h6-13,17,19H,1-5,14,22H2,(H,24,26)(H,23,25,27)
InChIKeyVZOUPMNWZHGCEG-UHFFFAOYSA-N
MW366.47 g/mol
LogP3.17
Rot. Bonds6

About 4-[1-amino-3-(cyclohexylamino)-3-oxopropyl]-N-pyridin-4-ylbenzamide

4-[1-amino-3-(cyclohexylamino)-3-oxopropyl]-N-pyridin-4-ylbenzamide (PubChem CID 67538066) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is 4-[1-amino-3-(cyclohexylamino)-3-oxopropyl]-N-pyridin-4-ylbenzamide.

Molecular Properties

Compound Name4-[1-amino-3-(cyclohexylamino)-3-oxopropyl]-N-pyridin-4-ylbenzamide
PubChem CID67538066
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC Name4-[1-amino-3-(cyclohexylamino)-3-oxopropyl]-N-pyridin-4-ylbenzamide
SMILESNC(CC(=O)NC1CCCCC1)c1ccc(C(=O)Nc2ccncc2)cc1
InChIInChI=1S/C21H26N4O2/c22-19(14-20(26)24-17-4-2-1-3-5-17)15-6-8-16(9-7-15)21(27)25-18-10-12-23-13-11-18/h6-13,17,19H,1-5,14,22H2,(H,24,26)(H,23,25,27)
InChIKeyVZOUPMNWZHGCEG-UHFFFAOYSA-N
XLogP3.17
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 53.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1,3-diamino-3-oxopropyl)-N-pyridin-4-ylbenzamide
CID 67536779
4-[(3-amino-3-phenylpropanoyl)amino]-N-cyclopentylbenzamide;hydrochloride
CID 119949582
4-[amino(cyclopropyl)methyl]-N-pyridin-4-ylbenzamide
CID 11149812
4-[1-amino-3-[(4-methylphenyl)methylamino]-3-oxopropyl]-N-pyridin-4-ylbenzamide
CID 67536660
4-[1-amino-2-[(2-pyridin-4-ylacetyl)amino]ethyl]-N-pyridin-4-ylbenzamide
CID 67536954
4-[1-amino-2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethyl]-N-pyridin-4-ylbenzamide
CID 15982627
1-N-cyclohexyl-4-N-(4-propan-2-ylphenyl)benzene-1,4-dicarboxamide
CID 109044795
N-[2-(cyclohexylamino)-2-oxoethyl]pyridine-4-carboxamide
CID 47172514
N-cyclohexylpyridine-4-carboxamide
CID 3436730
4-[amino-[1-(2-cyclohexyl-2-phenylacetyl)pyrrolidin-2-yl]methyl]-N-pyridin-4-ylbenzamide
CID 67537013
4-[1-amino-3-[benzyl(trifluoromethyl)amino]-3-oxopropyl]-N-pyridin-4-ylbenzamide
CID 67536790
4-cyclopentyl-N-pyridin-4-ylbenzamide
CID 110464379

Frequently Asked Questions

What is the IUPAC name of 4-[1-amino-3-(cyclohexylamino)-3-oxopropyl]-N-pyridin-4-ylbenzamide?
The IUPAC name of 4-[1-amino-3-(cyclohexylamino)-3-oxopropyl]-N-pyridin-4-ylbenzamide (CID 67538066) is 4-[1-amino-3-(cyclohexylamino)-3-oxopropyl]-N-pyridin-4-ylbenzamide.
What is the SMILES notation for 4-[1-amino-3-(cyclohexylamino)-3-oxopropyl]-N-pyridin-4-ylbenzamide?
The canonical SMILES for 4-[1-amino-3-(cyclohexylamino)-3-oxopropyl]-N-pyridin-4-ylbenzamide is NC(CC(=O)NC1CCCCC1)c1ccc(C(=O)Nc2ccncc2)cc1.
What is the InChIKey of 4-[1-amino-3-(cyclohexylamino)-3-oxopropyl]-N-pyridin-4-ylbenzamide?
The InChIKey is VZOUPMNWZHGCEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c22-19(14-20(26)24-17-4-2-1-3-5-17)15-6-8-16(9-7-15)21(27)25-18-10-12-23-13-11-18/h6-13,17,19H,1-5,14,22H2,(H,24,26)(H,23,25,27).
What are the key properties of 4-[1-amino-3-(cyclohexylamino)-3-oxopropyl]-N-pyridin-4-ylbenzamide?
4-[1-amino-3-(cyclohexylamino)-3-oxopropyl]-N-pyridin-4-ylbenzamide has a molecular weight of 366.47 g/mol, XLogP of 3.17, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-amino-3-(cyclohexylamino)-3-oxopropyl]-N-pyridin-4-ylbenzamide is sourced from PubChem (CID 67538066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).