N-[(1S)-1-(1H-pyrazol-4-yl)propyl]pyridine-4-carboxamide

C12H14N4O — CID 140582861

IUPACN-[(1S)-1-(1H-pyrazol-4-yl)propyl]pyridine-4-carboxamide
SMILESCC[C@H](NC(=O)c1ccncc1)c1cn[nH]c1
InChIInChI=1S/C12H14N4O/c1-2-11(10-7-14-15-8-10)16-12(17)9-3-5-13-6-4-9/h3-8,11H,2H2,1H3,(H,14,15)(H,16,17)/t11-/m0/s1
InChIKeyBNTWVHSCDWKZEQ-NSHDSACASA-N
MW230.27 g/mol
LogP1.69
Rot. Bonds4

About N-[(1S)-1-(1H-pyrazol-4-yl)propyl]pyridine-4-carboxamide

N-[(1S)-1-(1H-pyrazol-4-yl)propyl]pyridine-4-carboxamide (PubChem CID 140582861) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is N-[(1S)-1-(1H-pyrazol-4-yl)propyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(1H-pyrazol-4-yl)propyl]pyridine-4-carboxamide
PubChem CID140582861
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC NameN-[(1S)-1-(1H-pyrazol-4-yl)propyl]pyridine-4-carboxamide
SMILESCC[C@H](NC(=O)c1ccncc1)c1cn[nH]c1
InChIInChI=1S/C12H14N4O/c1-2-11(10-7-14-15-8-10)16-12(17)9-3-5-13-6-4-9/h3-8,11H,2H2,1H3,(H,14,15)(H,16,17)/t11-/m0/s1
InChIKeyBNTWVHSCDWKZEQ-NSHDSACASA-N
XLogP1.69
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-pentan-3-ylpyridine-4-carboxamide
CID 137320352
N-[(1S)-1-(4-hydroxy-3-methylsulfonylphenyl)propyl]pyridine-4-carboxamide
CID 140582609
N-[(1S)-1-(2-methylsulfinyl-4-pyridinyl)propyl]pyridine-4-carboxamide
CID 140582675
N-[1-(4-ethylphenyl)ethyl]pyridine-4-carboxamide
CID 6466147
N-[(4-methoxyphenyl)-pyridin-4-ylmethyl]-1H-pyrazole-4-carboxamide
CID 77079339
4-methoxy-N-[1-(4-methoxyphenyl)propyl]benzamide
CID 43904504
methyl 4-[[(1S)-1-(4-methylphenyl)propyl]carbamoyl]benzoate
CID 9297354
N-[1-(4-methylphenyl)propyl]-1H-pyrrole-3-carboxamide
CID 131929450
N-(1H-pyrazol-4-ylmethyl)pyridine-4-carboxamide
CID 60755457
1-N,4-N-bis(1-phenylpropyl)benzene-1,4-dicarboxamide
CID 43912072
4-chloro-N-[(1R)-1-(4-methylphenyl)propyl]benzamide
CID 841144
N-(1-cyanobutan-2-yl)pyridine-4-carboxamide
CID 62648128

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(1H-pyrazol-4-yl)propyl]pyridine-4-carboxamide?
The IUPAC name of N-[(1S)-1-(1H-pyrazol-4-yl)propyl]pyridine-4-carboxamide (CID 140582861) is N-[(1S)-1-(1H-pyrazol-4-yl)propyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[(1S)-1-(1H-pyrazol-4-yl)propyl]pyridine-4-carboxamide?
The canonical SMILES for N-[(1S)-1-(1H-pyrazol-4-yl)propyl]pyridine-4-carboxamide is CC[C@H](NC(=O)c1ccncc1)c1cn[nH]c1.
What is the InChIKey of N-[(1S)-1-(1H-pyrazol-4-yl)propyl]pyridine-4-carboxamide?
The InChIKey is BNTWVHSCDWKZEQ-NSHDSACASA-N. The full InChI is InChI=1S/C12H14N4O/c1-2-11(10-7-14-15-8-10)16-12(17)9-3-5-13-6-4-9/h3-8,11H,2H2,1H3,(H,14,15)(H,16,17)/t11-/m0/s1.
What are the key properties of N-[(1S)-1-(1H-pyrazol-4-yl)propyl]pyridine-4-carboxamide?
N-[(1S)-1-(1H-pyrazol-4-yl)propyl]pyridine-4-carboxamide has a molecular weight of 230.27 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(1H-pyrazol-4-yl)propyl]pyridine-4-carboxamide is sourced from PubChem (CID 140582861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).