N-[2-(1H-pyrrol-3-yl)ethyl]pyridine-3-carboxamide;hydrochloride

C12H14ClN3O — CID 110789365

IUPACN-[2-(1H-pyrrol-3-yl)ethyl]pyridine-3-carboxamide;hydrochloride
SMILESCl.O=C(NCCc1cc[nH]c1)c1cccnc1
InChIInChI=1S/C12H13N3O.ClH/c16-12(11-2-1-5-13-9-11)15-7-4-10-3-6-14-8-10;/h1-3,5-6,8-9,14H,4,7H2,(H,15,16);1H
InChIKeyGXDFJJMVRKOPHT-UHFFFAOYSA-N
MW251.72 g/mol
LogP1.80
Rot. Bonds4

About N-[2-(1H-pyrrol-3-yl)ethyl]pyridine-3-carboxamide;hydrochloride

N-[2-(1H-pyrrol-3-yl)ethyl]pyridine-3-carboxamide;hydrochloride (PubChem CID 110789365) has the molecular formula C12H14ClN3O and a molecular weight of 251.72 g/mol. Its IUPAC name is N-[2-(1H-pyrrol-3-yl)ethyl]pyridine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(1H-pyrrol-3-yl)ethyl]pyridine-3-carboxamide;hydrochloride
PubChem CID110789365
Molecular FormulaC12H14ClN3O
Molecular Weight251.72 g/mol
Exact Mass251.08
IUPAC NameN-[2-(1H-pyrrol-3-yl)ethyl]pyridine-3-carboxamide;hydrochloride
SMILESCl.O=C(NCCc1cc[nH]c1)c1cccnc1
InChIInChI=1S/C12H13N3O.ClH/c16-12(11-2-1-5-13-9-11)15-7-4-10-3-6-14-8-10;/h1-3,5-6,8-9,14H,4,7H2,(H,15,16);1H
InChIKeyGXDFJJMVRKOPHT-UHFFFAOYSA-N
XLogP1.80
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.72
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 67172955
3-(aminomethyl)-N-[2-(1H-pyrrol-3-yl)ethyl]benzamide
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N-[2-(3,4-difluorophenyl)ethyl]pyridine-3-carboxamide
CID 110788258
N-[2-(4-nitrophenyl)ethyl]pyridine-3-carboxamide
CID 110294457
N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-3-carboxamide;hydrochloride
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CID 110661295
N-[2-(1H-pyrrol-3-yl)ethyl]-4-(trifluoromethyl)benzamide
CID 110789374
N-(pyridin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride
CID 110755498
N-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]pyridine-3-carboxamide;hydrochloride
CID 110787889
N-[2-(1,3-benzodioxol-5-yl)ethyl]pyridine-3-carboxamide
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N-(3-chloropropyl)pyridine-3-carboxamide
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N-[3-[(4-fluorobenzoyl)amino]propyl]pyridine-3-carboxamide
CID 2989240

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-pyrrol-3-yl)ethyl]pyridine-3-carboxamide;hydrochloride?
The IUPAC name of N-[2-(1H-pyrrol-3-yl)ethyl]pyridine-3-carboxamide;hydrochloride (CID 110789365) is N-[2-(1H-pyrrol-3-yl)ethyl]pyridine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(1H-pyrrol-3-yl)ethyl]pyridine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(1H-pyrrol-3-yl)ethyl]pyridine-3-carboxamide;hydrochloride is Cl.O=C(NCCc1cc[nH]c1)c1cccnc1.
What is the InChIKey of N-[2-(1H-pyrrol-3-yl)ethyl]pyridine-3-carboxamide;hydrochloride?
The InChIKey is GXDFJJMVRKOPHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O.ClH/c16-12(11-2-1-5-13-9-11)15-7-4-10-3-6-14-8-10;/h1-3,5-6,8-9,14H,4,7H2,(H,15,16);1H.
What are the key properties of N-[2-(1H-pyrrol-3-yl)ethyl]pyridine-3-carboxamide;hydrochloride?
N-[2-(1H-pyrrol-3-yl)ethyl]pyridine-3-carboxamide;hydrochloride has a molecular weight of 251.72 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-pyrrol-3-yl)ethyl]pyridine-3-carboxamide;hydrochloride is sourced from PubChem (CID 110789365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).