N-prop-2-ynyl-6-[1-(4-pyrazol-1-ylphenyl)ethylamino]pyridine-3-carboxamide

C20H19N5O — CID 133327135

IUPACN-prop-2-ynyl-6-[1-(4-pyrazol-1-ylphenyl)ethylamino]pyridine-3-carboxamide
SMILESC#CCNC(=O)c1ccc(NC(C)c2ccc(-n3cccn3)cc2)nc1
InChIInChI=1S/C20H19N5O/c1-3-11-21-20(26)17-7-10-19(22-14-17)24-15(2)16-5-8-18(9-6-16)25-13-4-12-23-25/h1,4-10,12-15H,11H2,2H3,(H,21,26)(H,22,24)
InChIKeyXUHJRZRSGBYFHM-UHFFFAOYSA-N
MW345.41 g/mol
LogP2.80
Rot. Bonds6

About N-prop-2-ynyl-6-[1-(4-pyrazol-1-ylphenyl)ethylamino]pyridine-3-carboxamide

N-prop-2-ynyl-6-[1-(4-pyrazol-1-ylphenyl)ethylamino]pyridine-3-carboxamide (PubChem CID 133327135) has the molecular formula C20H19N5O and a molecular weight of 345.41 g/mol. Its IUPAC name is N-prop-2-ynyl-6-[1-(4-pyrazol-1-ylphenyl)ethylamino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-prop-2-ynyl-6-[1-(4-pyrazol-1-ylphenyl)ethylamino]pyridine-3-carboxamide
PubChem CID133327135
Molecular FormulaC20H19N5O
Molecular Weight345.41 g/mol
Exact Mass345.16
IUPAC NameN-prop-2-ynyl-6-[1-(4-pyrazol-1-ylphenyl)ethylamino]pyridine-3-carboxamide
SMILESC#CCNC(=O)c1ccc(NC(C)c2ccc(-n3cccn3)cc2)nc1
InChIInChI=1S/C20H19N5O/c1-3-11-21-20(26)17-7-10-19(22-14-17)24-15(2)16-5-8-18(9-6-16)25-13-4-12-23-25/h1,4-10,12-15H,11H2,2H3,(H,21,26)(H,22,24)
InChIKeyXUHJRZRSGBYFHM-UHFFFAOYSA-N
XLogP2.80
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-prop-2-ynyl-4-pyrazol-1-ylbenzamide
CID 30601389
6-[[(1R,2S)-1-(4-fluorophenyl)-1-hydroxypropan-2-yl]amino]-N-prop-2-ynylpyridine-3-carboxamide
CID 99828598
(2R)-2-[[5-(prop-2-ynylcarbamoyl)-2-pyridinyl]amino]propanoic acid
CID 122049964
N-[1-(4-pyrazol-1-ylphenyl)ethyl]pyridin-2-amine
CID 133327058
6-[(1-phenyl-2-pyrrolidin-1-ylethyl)amino]-N-prop-2-ynylpyridine-3-carboxamide
CID 133316628
6-[[2-hydroxy-2-(4-phenylphenyl)ethyl]amino]-N-prop-2-ynylpyridine-3-carboxamide
CID 133477137
N-(2-methoxyethyl)-6-(1-phenylethylamino)pyridine-3-carboxamide
CID 109152988
N-[1-(4-pyrazol-1-ylphenyl)ethyl]pyrimidin-2-amine
CID 133327133
N-(3-hydroxy-2-methylpropyl)-4-pyrazol-1-ylbenzamide
CID 65031869
N-(3-methoxypropyl)-6-(1-phenylethylamino)pyridine-3-carboxamide
CID 109153277
6-(cyclopent-3-en-1-ylamino)-N-prop-2-ynylpyridine-3-carboxamide
CID 133362088
N-[2-[di(propan-2-yl)amino]ethyl]-4-pyrazol-1-ylbenzamide
CID 18160782

Frequently Asked Questions

What is the IUPAC name of N-prop-2-ynyl-6-[1-(4-pyrazol-1-ylphenyl)ethylamino]pyridine-3-carboxamide?
The IUPAC name of N-prop-2-ynyl-6-[1-(4-pyrazol-1-ylphenyl)ethylamino]pyridine-3-carboxamide (CID 133327135) is N-prop-2-ynyl-6-[1-(4-pyrazol-1-ylphenyl)ethylamino]pyridine-3-carboxamide.
What is the SMILES notation for N-prop-2-ynyl-6-[1-(4-pyrazol-1-ylphenyl)ethylamino]pyridine-3-carboxamide?
The canonical SMILES for N-prop-2-ynyl-6-[1-(4-pyrazol-1-ylphenyl)ethylamino]pyridine-3-carboxamide is C#CCNC(=O)c1ccc(NC(C)c2ccc(-n3cccn3)cc2)nc1.
What is the InChIKey of N-prop-2-ynyl-6-[1-(4-pyrazol-1-ylphenyl)ethylamino]pyridine-3-carboxamide?
The InChIKey is XUHJRZRSGBYFHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O/c1-3-11-21-20(26)17-7-10-19(22-14-17)24-15(2)16-5-8-18(9-6-16)25-13-4-12-23-25/h1,4-10,12-15H,11H2,2H3,(H,21,26)(H,22,24).
What are the key properties of N-prop-2-ynyl-6-[1-(4-pyrazol-1-ylphenyl)ethylamino]pyridine-3-carboxamide?
N-prop-2-ynyl-6-[1-(4-pyrazol-1-ylphenyl)ethylamino]pyridine-3-carboxamide has a molecular weight of 345.41 g/mol, XLogP of 2.80, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-ynyl-6-[1-(4-pyrazol-1-ylphenyl)ethylamino]pyridine-3-carboxamide is sourced from PubChem (CID 133327135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).