4-[1-amino-2-[(2-pyridin-4-ylacetyl)amino]ethyl]-N-pyridin-4-ylbenzamide

C21H21N5O2 — CID 67536954

IUPAC4-[1-amino-2-[(2-pyridin-4-ylacetyl)amino]ethyl]-N-pyridin-4-ylbenzamide
SMILESNC(CNC(=O)Cc1ccncc1)c1ccc(C(=O)Nc2ccncc2)cc1
InChIInChI=1S/C21H21N5O2/c22-19(14-25-20(27)13-15-5-9-23-10-6-15)16-1-3-17(4-2-16)21(28)26-18-7-11-24-12-8-18/h1-12,19H,13-14,22H2,(H,25,27)(H,24,26,28)
InChIKeyONRIMLFZXHQQHM-UHFFFAOYSA-N
MW375.43 g/mol
LogP2.09
Rot. Bonds7

About 4-[1-amino-2-[(2-pyridin-4-ylacetyl)amino]ethyl]-N-pyridin-4-ylbenzamide

4-[1-amino-2-[(2-pyridin-4-ylacetyl)amino]ethyl]-N-pyridin-4-ylbenzamide (PubChem CID 67536954) has the molecular formula C21H21N5O2 and a molecular weight of 375.43 g/mol. Its IUPAC name is 4-[1-amino-2-[(2-pyridin-4-ylacetyl)amino]ethyl]-N-pyridin-4-ylbenzamide.

Molecular Properties

Compound Name4-[1-amino-2-[(2-pyridin-4-ylacetyl)amino]ethyl]-N-pyridin-4-ylbenzamide
PubChem CID67536954
Molecular FormulaC21H21N5O2
Molecular Weight375.43 g/mol
Exact Mass375.17
IUPAC Name4-[1-amino-2-[(2-pyridin-4-ylacetyl)amino]ethyl]-N-pyridin-4-ylbenzamide
SMILESNC(CNC(=O)Cc1ccncc1)c1ccc(C(=O)Nc2ccncc2)cc1
InChIInChI=1S/C21H21N5O2/c22-19(14-25-20(27)13-15-5-9-23-10-6-15)16-1-3-17(4-2-16)21(28)26-18-7-11-24-12-8-18/h1-12,19H,13-14,22H2,(H,25,27)(H,24,26,28)
InChIKeyONRIMLFZXHQQHM-UHFFFAOYSA-N
XLogP2.09
TPSA110.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[1-amino-2-[[2-(4-phenylphenyl)acetyl]amino]ethyl]-N-pyridin-4-ylbenzamide
CID 67536747
4-[1-amino-2-[[2-(2,6-difluorophenyl)acetyl]amino]ethyl]-N-pyridin-4-ylbenzamide
CID 67549543
4-[1-amino-2-[(4-phenylphenyl)carbamoylamino]ethyl]-N-pyridin-4-ylbenzamide
CID 15982238
4-(1,3-diamino-3-oxopropyl)-N-pyridin-4-ylbenzamide
CID 67536779
4-[1-amino-2-[(4-methoxyphenyl)carbamoylamino]ethyl]-N-pyridin-4-ylbenzamide
CID 67538548
4-[1-amino-3-[(4-methylphenyl)methylamino]-3-oxopropyl]-N-pyridin-4-ylbenzamide
CID 67536660
4-[(1S)-1-amino-3-[(4-fluorophenyl)methylamino]-3-oxopropyl]-N-pyridin-4-ylbenzamide;dihydrochloride
CID 67536089
4-[1-amino-2-[methyl-[2-(4-methylphenyl)acetyl]amino]ethyl]-N-pyridin-4-ylbenzamide
CID 67536439
4-[1-amino-2-[[2-(2,4-difluorophenyl)-2-methylpropanoyl]amino]ethyl]-N-pyridin-4-ylbenzamide
CID 67536787
(1S)-N-[(2R)-2-amino-2-[4-(pyridin-4-ylcarbamoyl)phenyl]ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide;(1S)-N-[(2S)-2-amino-2-[4-(pyridin-4-ylcarbamoyl)phenyl]ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide;(1R)-N-[(2R)-2-amino-2-[4-(pyridin-4-ylcarbamoyl)phenyl]ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide;(1R)-N-[(2S)-2-amino-2-[4-(pyridin-4-ylcarbamoyl)phenyl]ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 162111349
N-[(2R)-2-amino-2-[4-(pyridin-4-ylcarbamoyl)phenyl]ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 71220625
4-[1-amino-3-(cyclohexylamino)-3-oxopropyl]-N-pyridin-4-ylbenzamide
CID 67538066

Frequently Asked Questions

What is the IUPAC name of 4-[1-amino-2-[(2-pyridin-4-ylacetyl)amino]ethyl]-N-pyridin-4-ylbenzamide?
The IUPAC name of 4-[1-amino-2-[(2-pyridin-4-ylacetyl)amino]ethyl]-N-pyridin-4-ylbenzamide (CID 67536954) is 4-[1-amino-2-[(2-pyridin-4-ylacetyl)amino]ethyl]-N-pyridin-4-ylbenzamide.
What is the SMILES notation for 4-[1-amino-2-[(2-pyridin-4-ylacetyl)amino]ethyl]-N-pyridin-4-ylbenzamide?
The canonical SMILES for 4-[1-amino-2-[(2-pyridin-4-ylacetyl)amino]ethyl]-N-pyridin-4-ylbenzamide is NC(CNC(=O)Cc1ccncc1)c1ccc(C(=O)Nc2ccncc2)cc1.
What is the InChIKey of 4-[1-amino-2-[(2-pyridin-4-ylacetyl)amino]ethyl]-N-pyridin-4-ylbenzamide?
The InChIKey is ONRIMLFZXHQQHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2/c22-19(14-25-20(27)13-15-5-9-23-10-6-15)16-1-3-17(4-2-16)21(28)26-18-7-11-24-12-8-18/h1-12,19H,13-14,22H2,(H,25,27)(H,24,26,28).
What are the key properties of 4-[1-amino-2-[(2-pyridin-4-ylacetyl)amino]ethyl]-N-pyridin-4-ylbenzamide?
4-[1-amino-2-[(2-pyridin-4-ylacetyl)amino]ethyl]-N-pyridin-4-ylbenzamide has a molecular weight of 375.43 g/mol, XLogP of 2.09, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-amino-2-[(2-pyridin-4-ylacetyl)amino]ethyl]-N-pyridin-4-ylbenzamide is sourced from PubChem (CID 67536954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).