N-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-4-(triazol-1-yl)benzamide

C18H17ClN6O — CID 155945136

IUPACN-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-4-(triazol-1-yl)benzamide
SMILESO=C(NC1CCN(c2ncccc2Cl)C1)c1ccc(-n2ccnn2)cc1
InChIInChI=1S/C18H17ClN6O/c19-16-2-1-8-20-17(16)24-10-7-14(12-24)22-18(26)13-3-5-15(6-4-13)25-11-9-21-23-25/h1-6,8-9,11,14H,7,10,12H2,(H,22,26)
InChIKeyZPDBWKCARXLCDD-UHFFFAOYSA-N
MW368.83 g/mol
LogP2.32
Rot. Bonds4

About N-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-4-(triazol-1-yl)benzamide

N-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-4-(triazol-1-yl)benzamide (PubChem CID 155945136) has the molecular formula C18H17ClN6O and a molecular weight of 368.83 g/mol. Its IUPAC name is N-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-4-(triazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-4-(triazol-1-yl)benzamide
PubChem CID155945136
Molecular FormulaC18H17ClN6O
Molecular Weight368.83 g/mol
Exact Mass368.12
IUPAC NameN-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-4-(triazol-1-yl)benzamide
SMILESO=C(NC1CCN(c2ncccc2Cl)C1)c1ccc(-n2ccnn2)cc1
InChIInChI=1S/C18H17ClN6O/c19-16-2-1-8-20-17(16)24-10-7-14(12-24)22-18(26)13-3-5-15(6-4-13)25-11-9-21-23-25/h1-6,8-9,11,14H,7,10,12H2,(H,22,26)
InChIKeyZPDBWKCARXLCDD-UHFFFAOYSA-N
XLogP2.32
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.83
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]benzamide
CID 166217661
cis-(1R,3S)-3-[[4-(triazol-1-yl)benzoyl]amino]cyclopentane-1-carboxylic acid
CID 120678961
2-chloro-6-fluoro-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]benzamide
CID 71921906
N-[(3R)-1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]thiomorpholine-4-carboxamide
CID 124594638
(2S)-2-amino-N-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-4-methylpentanamide
CID 119895623
3-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-1-cyclopropyl-1-(2-hydroxyethyl)urea
CID 75379285
N-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-2-hydroxy-5-(prop-2-enoylamino)benzamide
CID 166412459
N-[(3S)-1-(2-methoxyphenyl)pyrrolidin-3-yl]-3-(triazol-1-yl)benzamide
CID 97243982
N-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-4-methyl-2-phenyl-1,3-oxazole-5-carboxamide
CID 126781803
4-[3-(pyridine-3-carbonylamino)pyrrolidin-1-yl]benzoic acid
CID 66622606
N-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-3-(diethylamino)pyrrolidine-1-carboxamide
CID 166217431
N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]benzamide
CID 99697085

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-4-(triazol-1-yl)benzamide?
The IUPAC name of N-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-4-(triazol-1-yl)benzamide (CID 155945136) is N-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-4-(triazol-1-yl)benzamide.
What is the SMILES notation for N-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-4-(triazol-1-yl)benzamide?
The canonical SMILES for N-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-4-(triazol-1-yl)benzamide is O=C(NC1CCN(c2ncccc2Cl)C1)c1ccc(-n2ccnn2)cc1.
What is the InChIKey of N-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-4-(triazol-1-yl)benzamide?
The InChIKey is ZPDBWKCARXLCDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN6O/c19-16-2-1-8-20-17(16)24-10-7-14(12-24)22-18(26)13-3-5-15(6-4-13)25-11-9-21-23-25/h1-6,8-9,11,14H,7,10,12H2,(H,22,26).
What are the key properties of N-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-4-(triazol-1-yl)benzamide?
N-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-4-(triazol-1-yl)benzamide has a molecular weight of 368.83 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-4-(triazol-1-yl)benzamide is sourced from PubChem (CID 155945136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).