N-[2-[2-[(3-cyano-2-pyridinyl)amino]ethylamino]-2-oxoethyl]-4-phenylbenzamide

C23H21N5O2 — CID 55727986

IUPACN-[2-[2-[(3-cyano-2-pyridinyl)amino]ethylamino]-2-oxoethyl]-4-phenylbenzamide
SMILESN#Cc1cccnc1NCCNC(=O)CNC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H21N5O2/c24-15-20-7-4-12-26-22(20)27-14-13-25-21(29)16-28-23(30)19-10-8-18(9-11-19)17-5-2-1-3-6-17/h1-12H,13-14,16H2,(H,25,29)(H,26,27)(H,28,30)
InChIKeyXTYVNFRSRCOGCP-UHFFFAOYSA-N
MW399.45 g/mol
LogP2.58
Rot. Bonds8

About N-[2-[2-[(3-cyano-2-pyridinyl)amino]ethylamino]-2-oxoethyl]-4-phenylbenzamide

N-[2-[2-[(3-cyano-2-pyridinyl)amino]ethylamino]-2-oxoethyl]-4-phenylbenzamide (PubChem CID 55727986) has the molecular formula C23H21N5O2 and a molecular weight of 399.45 g/mol. Its IUPAC name is N-[2-[2-[(3-cyano-2-pyridinyl)amino]ethylamino]-2-oxoethyl]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[2-[2-[(3-cyano-2-pyridinyl)amino]ethylamino]-2-oxoethyl]-4-phenylbenzamide
PubChem CID55727986
Molecular FormulaC23H21N5O2
Molecular Weight399.45 g/mol
Exact Mass399.17
IUPAC NameN-[2-[2-[(3-cyano-2-pyridinyl)amino]ethylamino]-2-oxoethyl]-4-phenylbenzamide
SMILESN#Cc1cccnc1NCCNC(=O)CNC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H21N5O2/c24-15-20-7-4-12-26-22(20)27-14-13-25-21(29)16-28-23(30)19-10-8-18(9-11-19)17-5-2-1-3-6-17/h1-12H,13-14,16H2,(H,25,29)(H,26,27)(H,28,30)
InChIKeyXTYVNFRSRCOGCP-UHFFFAOYSA-N
XLogP2.58
TPSA106.91 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-3-[(3-cyano-2-pyridinyl)amino]propanamide
CID 133279511
2-chloro-N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]benzamide
CID 46443949
N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]-2,6-difluorobenzamide
CID 60556332
1-[2-[(3-cyano-2-pyridinyl)amino]ethyl]-3-(3,3-diphenylpropyl)urea
CID 55770075
N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]-4-[(2-fluorophenyl)sulfamoyl]benzamide
CID 55729837
3-bromo-N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]-4-methoxybenzamide
CID 47037254
N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 47037231
N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]-4-(2-oxopiperidin-1-yl)benzamide
CID 55839404
methyl 3-[(3-cyano-2-pyridinyl)amino]propanoate
CID 55028439
4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]benzamide
CID 55729309
5-(4-bromophenyl)-N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]pentanamide
CID 55840184
5-(benzenesulfonylmethyl)-N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]furan-2-carboxamide
CID 55727924

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[(3-cyano-2-pyridinyl)amino]ethylamino]-2-oxoethyl]-4-phenylbenzamide?
The IUPAC name of N-[2-[2-[(3-cyano-2-pyridinyl)amino]ethylamino]-2-oxoethyl]-4-phenylbenzamide (CID 55727986) is N-[2-[2-[(3-cyano-2-pyridinyl)amino]ethylamino]-2-oxoethyl]-4-phenylbenzamide.
What is the SMILES notation for N-[2-[2-[(3-cyano-2-pyridinyl)amino]ethylamino]-2-oxoethyl]-4-phenylbenzamide?
The canonical SMILES for N-[2-[2-[(3-cyano-2-pyridinyl)amino]ethylamino]-2-oxoethyl]-4-phenylbenzamide is N#Cc1cccnc1NCCNC(=O)CNC(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-[2-[2-[(3-cyano-2-pyridinyl)amino]ethylamino]-2-oxoethyl]-4-phenylbenzamide?
The InChIKey is XTYVNFRSRCOGCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O2/c24-15-20-7-4-12-26-22(20)27-14-13-25-21(29)16-28-23(30)19-10-8-18(9-11-19)17-5-2-1-3-6-17/h1-12H,13-14,16H2,(H,25,29)(H,26,27)(H,28,30).
What are the key properties of N-[2-[2-[(3-cyano-2-pyridinyl)amino]ethylamino]-2-oxoethyl]-4-phenylbenzamide?
N-[2-[2-[(3-cyano-2-pyridinyl)amino]ethylamino]-2-oxoethyl]-4-phenylbenzamide has a molecular weight of 399.45 g/mol, XLogP of 2.58, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[(3-cyano-2-pyridinyl)amino]ethylamino]-2-oxoethyl]-4-phenylbenzamide is sourced from PubChem (CID 55727986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).