N-(5-chloro-2-pyridinyl)-2-[(4-cyanobenzoyl)amino]-5-(hydroxymethyl)benzamide

C21H15ClN4O3 — CID 89432643

IUPACN-(5-chloro-2-pyridinyl)-2-[(4-cyanobenzoyl)amino]-5-(hydroxymethyl)benzamide
SMILESN#Cc1ccc(C(=O)Nc2ccc(CO)cc2C(=O)Nc2ccc(Cl)cn2)cc1
InChIInChI=1S/C21H15ClN4O3/c22-16-6-8-19(24-11-16)26-21(29)17-9-14(12-27)3-7-18(17)25-20(28)15-4-1-13(10-23)2-5-15/h1-9,11,27H,12H2,(H,25,28)(H,24,26,29)
InChIKeyLEHSSCRGMUXKHQ-UHFFFAOYSA-N
MW406.83 g/mol
LogP3.60
Rot. Bonds5

About N-(5-chloro-2-pyridinyl)-2-[(4-cyanobenzoyl)amino]-5-(hydroxymethyl)benzamide

N-(5-chloro-2-pyridinyl)-2-[(4-cyanobenzoyl)amino]-5-(hydroxymethyl)benzamide (PubChem CID 89432643) has the molecular formula C21H15ClN4O3 and a molecular weight of 406.83 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-2-[(4-cyanobenzoyl)amino]-5-(hydroxymethyl)benzamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-2-[(4-cyanobenzoyl)amino]-5-(hydroxymethyl)benzamide
PubChem CID89432643
Molecular FormulaC21H15ClN4O3
Molecular Weight406.83 g/mol
Exact Mass406.08
IUPAC NameN-(5-chloro-2-pyridinyl)-2-[(4-cyanobenzoyl)amino]-5-(hydroxymethyl)benzamide
SMILESN#Cc1ccc(C(=O)Nc2ccc(CO)cc2C(=O)Nc2ccc(Cl)cn2)cc1
InChIInChI=1S/C21H15ClN4O3/c22-16-6-8-19(24-11-16)26-21(29)17-9-14(12-27)3-7-18(17)25-20(28)15-4-1-13(10-23)2-5-15/h1-9,11,27H,12H2,(H,25,28)(H,24,26,29)
InChIKeyLEHSSCRGMUXKHQ-UHFFFAOYSA-N
XLogP3.60
TPSA115.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.83
LogP ≤ 53.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-chloro-2-pyridinyl)-2-[(4-cyanobenzoyl)amino]-5-methylbenzamide
CID 22596418
N-(5-chloro-2-pyridinyl)-2-[(4-cyanobenzoyl)amino]-5-methoxybenzamide
CID 22596384
N-(5-bromo-2-pyridinyl)-5-chloro-2-[(4-cyanobenzoyl)amino]benzamide
CID 22601675
5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-[(E)-N'-hydroxycarbamimidoyl]benzoyl]amino]benzamide
CID 18727842
5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]benzoyl]amino]benzamide
CID 18727832
N-(5-chloro-2-pyridinyl)-5-(hydroxymethyl)-2-[[4-(N'-methylcarbamimidoyl)benzoyl]amino]benzamide;2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-(hydroxymethyl)-N-pyridin-2-ylbenzamide
CID 160503015
3-chloro-N-(5-cyano-2-pyridinyl)-4-fluorobenzamide
CID 81485911
4-chloro-N-(2-chloro-4-cyanophenyl)benzamide
CID 103799745
acetylene;2-benzamido-5-chloro-N-(5-ethynyl-2-pyridinyl)benzamide
CID 142175051
1-N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-methoxyphenyl]-4-N-hydroxybenzene-1,4-dicarboxamide
CID 143758587
5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-[(4-ethylpiperidin-1-yl)methyl]benzoyl]amino]benzamide
CID 142082750
5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(S-methyl-N-propanoylsulfonimidoyl)benzoyl]amino]benzamide
CID 140563214

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-2-[(4-cyanobenzoyl)amino]-5-(hydroxymethyl)benzamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-2-[(4-cyanobenzoyl)amino]-5-(hydroxymethyl)benzamide (CID 89432643) is N-(5-chloro-2-pyridinyl)-2-[(4-cyanobenzoyl)amino]-5-(hydroxymethyl)benzamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-2-[(4-cyanobenzoyl)amino]-5-(hydroxymethyl)benzamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-2-[(4-cyanobenzoyl)amino]-5-(hydroxymethyl)benzamide is N#Cc1ccc(C(=O)Nc2ccc(CO)cc2C(=O)Nc2ccc(Cl)cn2)cc1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-2-[(4-cyanobenzoyl)amino]-5-(hydroxymethyl)benzamide?
The InChIKey is LEHSSCRGMUXKHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClN4O3/c22-16-6-8-19(24-11-16)26-21(29)17-9-14(12-27)3-7-18(17)25-20(28)15-4-1-13(10-23)2-5-15/h1-9,11,27H,12H2,(H,25,28)(H,24,26,29).
What are the key properties of N-(5-chloro-2-pyridinyl)-2-[(4-cyanobenzoyl)amino]-5-(hydroxymethyl)benzamide?
N-(5-chloro-2-pyridinyl)-2-[(4-cyanobenzoyl)amino]-5-(hydroxymethyl)benzamide has a molecular weight of 406.83 g/mol, XLogP of 3.60, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-2-[(4-cyanobenzoyl)amino]-5-(hydroxymethyl)benzamide is sourced from PubChem (CID 89432643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).