N-[(2S)-2-(3,5-dimethylpyrazol-1-yl)propyl]-2-(methylamino)pyridine-4-carboxamide

C15H21N5O — CID 92603054

IUPACN-[(2S)-2-(3,5-dimethylpyrazol-1-yl)propyl]-2-(methylamino)pyridine-4-carboxamide
SMILESCNc1cc(C(=O)NC[C@H](C)n2nc(C)cc2C)ccn1
InChIInChI=1S/C15H21N5O/c1-10-7-11(2)20(19-10)12(3)9-18-15(21)13-5-6-17-14(8-13)16-4/h5-8,12H,9H2,1-4H3,(H,16,17)(H,18,21)/t12-/m0/s1
InChIKeyPCQQQDFARPFOSF-LBPRGKRZSA-N
MW287.37 g/mol
LogP1.93
Rot. Bonds5

About N-[(2S)-2-(3,5-dimethylpyrazol-1-yl)propyl]-2-(methylamino)pyridine-4-carboxamide

N-[(2S)-2-(3,5-dimethylpyrazol-1-yl)propyl]-2-(methylamino)pyridine-4-carboxamide (PubChem CID 92603054) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is N-[(2S)-2-(3,5-dimethylpyrazol-1-yl)propyl]-2-(methylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-(3,5-dimethylpyrazol-1-yl)propyl]-2-(methylamino)pyridine-4-carboxamide
PubChem CID92603054
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC NameN-[(2S)-2-(3,5-dimethylpyrazol-1-yl)propyl]-2-(methylamino)pyridine-4-carboxamide
SMILESCNc1cc(C(=O)NC[C@H](C)n2nc(C)cc2C)ccn1
InChIInChI=1S/C15H21N5O/c1-10-7-11(2)20(19-10)12(3)9-18-15(21)13-5-6-17-14(8-13)16-4/h5-8,12H,9H2,1-4H3,(H,16,17)(H,18,21)/t12-/m0/s1
InChIKeyPCQQQDFARPFOSF-LBPRGKRZSA-N
XLogP1.93
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-2-(3,5-dimethylpyrazol-1-yl)propyl]benzamide
CID 7444930
2-(methylamino)-N-(2-methylbutyl)pyridine-4-carboxamide
CID 62694012
2-(methylamino)-N-(2-piperidin-1-ylpropyl)pyridine-4-carboxamide
CID 62178431
N-[2-(3,5-dimethylpyrazol-1-yl)propyl]-3-(pyrazol-1-ylmethyl)benzamide
CID 50974491
2-(methylamino)-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide
CID 62166427
N-[(2R)-2-(3,5-dimethylpyrazol-1-yl)propyl]-1,4,6-trimethyl-2-oxopyridine-3-carboxamide
CID 95120648
N-[2-(3,5-dimethylpyrazol-1-yl)propyl]-3-pyridin-4-ylpropanamide
CID 74234825
2-(methylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridine-4-carboxamide
CID 79237744
N-[(2S)-2-(3,5-dimethylpyrazol-1-yl)propyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 95123695
6-chloro-N-[(2R)-2-(3,5-dimethylpyrazol-1-yl)propyl]-1-methylindole-2-carboxamide
CID 99949687
N-[2-(carbamoylamino)ethyl]-2-(methylamino)pyridine-4-carboxamide
CID 83115078
N-[(2S)-2-hydroxypropyl]-2-methylpyridine-4-carboxamide
CID 106753450

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(3,5-dimethylpyrazol-1-yl)propyl]-2-(methylamino)pyridine-4-carboxamide?
The IUPAC name of N-[(2S)-2-(3,5-dimethylpyrazol-1-yl)propyl]-2-(methylamino)pyridine-4-carboxamide (CID 92603054) is N-[(2S)-2-(3,5-dimethylpyrazol-1-yl)propyl]-2-(methylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-[(2S)-2-(3,5-dimethylpyrazol-1-yl)propyl]-2-(methylamino)pyridine-4-carboxamide?
The canonical SMILES for N-[(2S)-2-(3,5-dimethylpyrazol-1-yl)propyl]-2-(methylamino)pyridine-4-carboxamide is CNc1cc(C(=O)NC[C@H](C)n2nc(C)cc2C)ccn1.
What is the InChIKey of N-[(2S)-2-(3,5-dimethylpyrazol-1-yl)propyl]-2-(methylamino)pyridine-4-carboxamide?
The InChIKey is PCQQQDFARPFOSF-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H21N5O/c1-10-7-11(2)20(19-10)12(3)9-18-15(21)13-5-6-17-14(8-13)16-4/h5-8,12H,9H2,1-4H3,(H,16,17)(H,18,21)/t12-/m0/s1.
What are the key properties of N-[(2S)-2-(3,5-dimethylpyrazol-1-yl)propyl]-2-(methylamino)pyridine-4-carboxamide?
N-[(2S)-2-(3,5-dimethylpyrazol-1-yl)propyl]-2-(methylamino)pyridine-4-carboxamide has a molecular weight of 287.37 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(3,5-dimethylpyrazol-1-yl)propyl]-2-(methylamino)pyridine-4-carboxamide is sourced from PubChem (CID 92603054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).