(2S)-2-methyl-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]butanamide

C14H18N4O — CID 25349454

IUPAC(2S)-2-methyl-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]butanamide
SMILESCC[C@H](C)C(=O)NCc1ccc(-n2cccn2)nc1
InChIInChI=1S/C14H18N4O/c1-3-11(2)14(19)16-10-12-5-6-13(15-9-12)18-8-4-7-17-18/h4-9,11H,3,10H2,1-2H3,(H,16,19)/t11-/m0/s1
InChIKeyDUKJOKRBUQRBTI-NSHDSACASA-N
MW258.32 g/mol
LogP1.93
Rot. Bonds5

About (2S)-2-methyl-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]butanamide

(2S)-2-methyl-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]butanamide (PubChem CID 25349454) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is (2S)-2-methyl-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]butanamide.

Molecular Properties

Compound Name(2S)-2-methyl-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]butanamide
PubChem CID25349454
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name(2S)-2-methyl-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]butanamide
SMILESCC[C@H](C)C(=O)NCc1ccc(-n2cccn2)nc1
InChIInChI=1S/C14H18N4O/c1-3-11(2)14(19)16-10-12-5-6-13(15-9-12)18-8-4-7-17-18/h4-9,11H,3,10H2,1-2H3,(H,16,19)/t11-/m0/s1
InChIKeyDUKJOKRBUQRBTI-NSHDSACASA-N
XLogP1.93
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-methyl-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]butanamide
CID 25349453
N-[(2S)-1-oxo-1-[(6-pyrazol-1-yl-3-pyridinyl)methylamino]propan-2-yl]furan-3-carboxamide
CID 94032072
(2R)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-methyl-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]butanamide
CID 98727349
2-methyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]butanamide
CID 46598711
tert-butyl N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]carbamate
CID 134193569
(2R)-2-[(3-methoxyphenyl)methoxy]-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]propanamide
CID 51943718
(2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]propanamide
CID 55941346
N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]cyclopentanecarboxamide
CID 25343497
N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyrimidin-2-amine
CID 25480347
2-methyl-3-(methylamino)-N-[(4-pyrazol-1-ylphenyl)methyl]propanamide;hydrochloride
CID 119725281
2,5-dichloro-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]thiophene-3-carboxamide
CID 51112319
2-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]butanamide
CID 24684926

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]butanamide?
The IUPAC name of (2S)-2-methyl-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]butanamide (CID 25349454) is (2S)-2-methyl-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]butanamide.
What is the SMILES notation for (2S)-2-methyl-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]butanamide?
The canonical SMILES for (2S)-2-methyl-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]butanamide is CC[C@H](C)C(=O)NCc1ccc(-n2cccn2)nc1.
What is the InChIKey of (2S)-2-methyl-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]butanamide?
The InChIKey is DUKJOKRBUQRBTI-NSHDSACASA-N. The full InChI is InChI=1S/C14H18N4O/c1-3-11(2)14(19)16-10-12-5-6-13(15-9-12)18-8-4-7-17-18/h4-9,11H,3,10H2,1-2H3,(H,16,19)/t11-/m0/s1.
What are the key properties of (2S)-2-methyl-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]butanamide?
(2S)-2-methyl-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]butanamide has a molecular weight of 258.32 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]butanamide is sourced from PubChem (CID 25349454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).