N-[(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)methyl]pyridine-3-carboxamide;hydrochloride

C16H22ClN3O — CID 110786266

IUPACN-[(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)methyl]pyridine-3-carboxamide;hydrochloride
SMILESCc1cc(CNC(=O)c2cccnc2)c(C)n1C(C)C.Cl
InChIInChI=1S/C16H21N3O.ClH/c1-11(2)19-12(3)8-15(13(19)4)10-18-16(20)14-6-5-7-17-9-14;/h5-9,11H,10H2,1-4H3,(H,18,20);1H
InChIKeyHAJLSBHAQXYLJC-UHFFFAOYSA-N
MW307.82 g/mol
LogP3.43
Rot. Bonds4

About N-[(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)methyl]pyridine-3-carboxamide;hydrochloride

N-[(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)methyl]pyridine-3-carboxamide;hydrochloride (PubChem CID 110786266) has the molecular formula C16H22ClN3O and a molecular weight of 307.82 g/mol. Its IUPAC name is N-[(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)methyl]pyridine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)methyl]pyridine-3-carboxamide;hydrochloride
PubChem CID110786266
Molecular FormulaC16H22ClN3O
Molecular Weight307.82 g/mol
Exact Mass307.15
IUPAC NameN-[(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)methyl]pyridine-3-carboxamide;hydrochloride
SMILESCc1cc(CNC(=O)c2cccnc2)c(C)n1C(C)C.Cl
InChIInChI=1S/C16H21N3O.ClH/c1-11(2)19-12(3)8-15(13(19)4)10-18-16(20)14-6-5-7-17-9-14;/h5-9,11H,10H2,1-4H3,(H,18,20);1H
InChIKeyHAJLSBHAQXYLJC-UHFFFAOYSA-N
XLogP3.43
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.82
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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N-[[2-[(3,4-dimethylbenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide
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N-[2-(benzamidomethyl)phenyl]pyridine-3-carboxamide
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N-benzylpyridine-3-carboxamide chloride
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Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)methyl]pyridine-3-carboxamide;hydrochloride?
The IUPAC name of N-[(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)methyl]pyridine-3-carboxamide;hydrochloride (CID 110786266) is N-[(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)methyl]pyridine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)methyl]pyridine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)methyl]pyridine-3-carboxamide;hydrochloride is Cc1cc(CNC(=O)c2cccnc2)c(C)n1C(C)C.Cl.
What is the InChIKey of N-[(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)methyl]pyridine-3-carboxamide;hydrochloride?
The InChIKey is HAJLSBHAQXYLJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O.ClH/c1-11(2)19-12(3)8-15(13(19)4)10-18-16(20)14-6-5-7-17-9-14;/h5-9,11H,10H2,1-4H3,(H,18,20);1H.
What are the key properties of N-[(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)methyl]pyridine-3-carboxamide;hydrochloride?
N-[(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)methyl]pyridine-3-carboxamide;hydrochloride has a molecular weight of 307.82 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)methyl]pyridine-3-carboxamide;hydrochloride is sourced from PubChem (CID 110786266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).