N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-(propylamino)pyridine-4-carboxamide

C14H19N5O — CID 62178161

IUPACN-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-(propylamino)pyridine-4-carboxamide
SMILESCCCNc1cc(C(=O)NCc2cn[nH]c2C)ccn1
InChIInChI=1S/C14H19N5O/c1-3-5-15-13-7-11(4-6-16-13)14(20)17-8-12-9-18-19-10(12)2/h4,6-7,9H,3,5,8H2,1-2H3,(H,15,16)(H,17,20)(H,18,19)
InChIKeyRYIDEROOHJHBEW-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.87
Rot. Bonds6

About N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-(propylamino)pyridine-4-carboxamide

N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-(propylamino)pyridine-4-carboxamide (PubChem CID 62178161) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-(propylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-(propylamino)pyridine-4-carboxamide
PubChem CID62178161
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC NameN-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-(propylamino)pyridine-4-carboxamide
SMILESCCCNc1cc(C(=O)NCc2cn[nH]c2C)ccn1
InChIInChI=1S/C14H19N5O/c1-3-5-15-13-7-11(4-6-16-13)14(20)17-8-12-9-18-19-10(12)2/h4,6-7,9H,3,5,8H2,1-2H3,(H,15,16)(H,17,20)(H,18,19)
InChIKeyRYIDEROOHJHBEW-UHFFFAOYSA-N
XLogP1.87
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(aminomethyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyridine-4-carboxamide
CID 113277766
N-butyl-2-(propylamino)pyridine-4-carboxamide
CID 62185279
N-(2,2-dimethylpropyl)-2-(propylamino)pyridine-4-carboxamide
CID 62179912
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-(propylamino)benzamide
CID 62177273
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(propylamino)pyridine-4-carboxamide
CID 62174606
N-[2-(diethylamino)ethyl]-2-(propylamino)pyridine-4-carboxamide
CID 62173284
N-methyl-2-(propylamino)pyridine-4-carboxamide
CID 62170975
N-(furan-2-ylmethyl)-2-(propylamino)pyridine-4-carboxamide
CID 62172710
N-[3-(dimethylamino)propyl]-2-(propylamino)pyridine-4-carboxamide
CID 55042326
3,4-difluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide
CID 60736056
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-propoxybenzamide
CID 61021408
N-(4-amino-4-oxobutyl)-2-(propylamino)pyridine-4-carboxamide
CID 55046885

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-(propylamino)pyridine-4-carboxamide?
The IUPAC name of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-(propylamino)pyridine-4-carboxamide (CID 62178161) is N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-(propylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-(propylamino)pyridine-4-carboxamide?
The canonical SMILES for N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-(propylamino)pyridine-4-carboxamide is CCCNc1cc(C(=O)NCc2cn[nH]c2C)ccn1.
What is the InChIKey of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-(propylamino)pyridine-4-carboxamide?
The InChIKey is RYIDEROOHJHBEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-3-5-15-13-7-11(4-6-16-13)14(20)17-8-12-9-18-19-10(12)2/h4,6-7,9H,3,5,8H2,1-2H3,(H,15,16)(H,17,20)(H,18,19).
What are the key properties of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-(propylamino)pyridine-4-carboxamide?
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-(propylamino)pyridine-4-carboxamide has a molecular weight of 273.34 g/mol, XLogP of 1.87, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-(propylamino)pyridine-4-carboxamide is sourced from PubChem (CID 62178161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).