4-(5-chloro-2-pyridinyl)-N-pyrrolidin-3-ylbenzamide;hydrochloride

C16H17Cl2N3O — CID 154904834

IUPAC4-(5-chloro-2-pyridinyl)-N-pyrrolidin-3-ylbenzamide;hydrochloride
SMILESCl.O=C(NC1CCNC1)c1ccc(-c2ccc(Cl)cn2)cc1
InChIInChI=1S/C16H16ClN3O.ClH/c17-13-5-6-15(19-9-13)11-1-3-12(4-2-11)16(21)20-14-7-8-18-10-14;/h1-6,9,14,18H,7-8,10H2,(H,20,21);1H
InChIKeyIOJINTYCBVBYDG-UHFFFAOYSA-N
MW338.24 g/mol
LogP2.92
Rot. Bonds3

About 4-(5-chloro-2-pyridinyl)-N-pyrrolidin-3-ylbenzamide;hydrochloride

4-(5-chloro-2-pyridinyl)-N-pyrrolidin-3-ylbenzamide;hydrochloride (PubChem CID 154904834) has the molecular formula C16H17Cl2N3O and a molecular weight of 338.24 g/mol. Its IUPAC name is 4-(5-chloro-2-pyridinyl)-N-pyrrolidin-3-ylbenzamide;hydrochloride.

Molecular Properties

Compound Name4-(5-chloro-2-pyridinyl)-N-pyrrolidin-3-ylbenzamide;hydrochloride
PubChem CID154904834
Molecular FormulaC16H17Cl2N3O
Molecular Weight338.24 g/mol
Exact Mass337.07
IUPAC Name4-(5-chloro-2-pyridinyl)-N-pyrrolidin-3-ylbenzamide;hydrochloride
SMILESCl.O=C(NC1CCNC1)c1ccc(-c2ccc(Cl)cn2)cc1
InChIInChI=1S/C16H16ClN3O.ClH/c17-13-5-6-15(19-9-13)11-1-3-12(4-2-11)16(21)20-14-7-8-18-10-14;/h1-6,9,14,18H,7-8,10H2,(H,20,21);1H
InChIKeyIOJINTYCBVBYDG-UHFFFAOYSA-N
XLogP2.92
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.24
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[(3R)-pyrrolidin-3-yl]benzamide
CID 79685775
4-acetyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119449499
4-bromo-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119453836
3-chloro-4-fluoro-N-[(3R)-pyrrolidin-3-yl]benzamide
CID 82878959
4-hydroxy-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 79689032
3-(4-chlorophenyl)-N-piperidin-3-yl-1H-pyrazole-5-carboxamide
CID 119424765
3-chloro-4-iodo-N-[(3R)-pyrrolidin-3-yl]benzamide
CID 103209637
2-(4-chlorophenyl)-4-methyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119452782
2-[[4-(5-chloro-2-pyridinyl)benzoyl]amino]acetic acid
CID 169198581
N-cycloheptyl-6-(4-fluorophenyl)pyridine-3-carboxamide
CID 53111052
4-ethoxy-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119453188
5-(1H-pyrazol-4-yl)-N-pyrrolidin-3-ylpyridine-2-carboxamide
CID 166250475

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-2-pyridinyl)-N-pyrrolidin-3-ylbenzamide;hydrochloride?
The IUPAC name of 4-(5-chloro-2-pyridinyl)-N-pyrrolidin-3-ylbenzamide;hydrochloride (CID 154904834) is 4-(5-chloro-2-pyridinyl)-N-pyrrolidin-3-ylbenzamide;hydrochloride.
What is the SMILES notation for 4-(5-chloro-2-pyridinyl)-N-pyrrolidin-3-ylbenzamide;hydrochloride?
The canonical SMILES for 4-(5-chloro-2-pyridinyl)-N-pyrrolidin-3-ylbenzamide;hydrochloride is Cl.O=C(NC1CCNC1)c1ccc(-c2ccc(Cl)cn2)cc1.
What is the InChIKey of 4-(5-chloro-2-pyridinyl)-N-pyrrolidin-3-ylbenzamide;hydrochloride?
The InChIKey is IOJINTYCBVBYDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O.ClH/c17-13-5-6-15(19-9-13)11-1-3-12(4-2-11)16(21)20-14-7-8-18-10-14;/h1-6,9,14,18H,7-8,10H2,(H,20,21);1H.
What are the key properties of 4-(5-chloro-2-pyridinyl)-N-pyrrolidin-3-ylbenzamide;hydrochloride?
4-(5-chloro-2-pyridinyl)-N-pyrrolidin-3-ylbenzamide;hydrochloride has a molecular weight of 338.24 g/mol, XLogP of 2.92, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-2-pyridinyl)-N-pyrrolidin-3-ylbenzamide;hydrochloride is sourced from PubChem (CID 154904834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).