N-[2-(1H-imidazol-2-yl)ethyl]-3-(propylamino)pyridine-4-carboxamide

C14H19N5O — CID 105071332

IUPACN-[2-(1H-imidazol-2-yl)ethyl]-3-(propylamino)pyridine-4-carboxamide
SMILESCCCNc1cnccc1C(=O)NCCc1ncc[nH]1
InChIInChI=1S/C14H19N5O/c1-2-5-16-12-10-15-6-3-11(12)14(20)19-7-4-13-17-8-9-18-13/h3,6,8-10,16H,2,4-5,7H2,1H3,(H,17,18)(H,19,20)
InChIKeyLQRSXHBSLZSJQB-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.60
Rot. Bonds7

About N-[2-(1H-imidazol-2-yl)ethyl]-3-(propylamino)pyridine-4-carboxamide

N-[2-(1H-imidazol-2-yl)ethyl]-3-(propylamino)pyridine-4-carboxamide (PubChem CID 105071332) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is N-[2-(1H-imidazol-2-yl)ethyl]-3-(propylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-imidazol-2-yl)ethyl]-3-(propylamino)pyridine-4-carboxamide
PubChem CID105071332
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC NameN-[2-(1H-imidazol-2-yl)ethyl]-3-(propylamino)pyridine-4-carboxamide
SMILESCCCNc1cnccc1C(=O)NCCc1ncc[nH]1
InChIInChI=1S/C14H19N5O/c1-2-5-16-12-10-15-6-3-11(12)14(20)19-7-4-13-17-8-9-18-13/h3,6,8-10,16H,2,4-5,7H2,1H3,(H,17,18)(H,19,20)
InChIKeyLQRSXHBSLZSJQB-UHFFFAOYSA-N
XLogP1.60
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1H-imidazol-2-ylmethyl)-N-methyl-3-(propylamino)pyridine-4-carboxamide
CID 105070360
N-[3-(dimethylamino)propyl]-3-(propylamino)pyridine-4-carboxamide
CID 105068347
N-[2-(furan-2-yl)ethyl]-3-(propylamino)pyridine-4-carboxamide
CID 105069134
N-[2-(dimethylsulfamoyl)ethyl]-3-(propylamino)pyridine-4-carboxamide
CID 106342677
N-[2-(5-chlorothiophen-2-yl)ethyl]-3-(propylamino)pyridine-4-carboxamide
CID 106050385
N-(3-methylsulfanylpropyl)-3-(propylamino)pyridine-4-carboxamide
CID 105070236
N-(3-butoxypropyl)-3-(propylamino)pyridine-4-carboxamide
CID 105071243
N-[(3-methyl-4-pyridinyl)methyl]-3-(propylamino)pyridine-4-carboxamide
CID 105071463
N-(3-cyclopropylpropyl)-3-(propylamino)pyridine-4-carboxamide
CID 105071385
3-(propylamino)-N-(2-pyrazol-1-ylethyl)pyridine-4-carboxamide
CID 105069612
N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-(propylamino)pyridine-4-carboxamide
CID 105068732
N-(2-methoxy-2-methylpropyl)-3-(propylamino)pyridine-4-carboxamide
CID 105071169

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-imidazol-2-yl)ethyl]-3-(propylamino)pyridine-4-carboxamide?
The IUPAC name of N-[2-(1H-imidazol-2-yl)ethyl]-3-(propylamino)pyridine-4-carboxamide (CID 105071332) is N-[2-(1H-imidazol-2-yl)ethyl]-3-(propylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-[2-(1H-imidazol-2-yl)ethyl]-3-(propylamino)pyridine-4-carboxamide?
The canonical SMILES for N-[2-(1H-imidazol-2-yl)ethyl]-3-(propylamino)pyridine-4-carboxamide is CCCNc1cnccc1C(=O)NCCc1ncc[nH]1.
What is the InChIKey of N-[2-(1H-imidazol-2-yl)ethyl]-3-(propylamino)pyridine-4-carboxamide?
The InChIKey is LQRSXHBSLZSJQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-2-5-16-12-10-15-6-3-11(12)14(20)19-7-4-13-17-8-9-18-13/h3,6,8-10,16H,2,4-5,7H2,1H3,(H,17,18)(H,19,20).
What are the key properties of N-[2-(1H-imidazol-2-yl)ethyl]-3-(propylamino)pyridine-4-carboxamide?
N-[2-(1H-imidazol-2-yl)ethyl]-3-(propylamino)pyridine-4-carboxamide has a molecular weight of 273.34 g/mol, XLogP of 1.60, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-imidazol-2-yl)ethyl]-3-(propylamino)pyridine-4-carboxamide is sourced from PubChem (CID 105071332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).