(2S)-3-methyl-2-piperidin-1-yl-N-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]butanamide

C19H27N5O — CID 99816503

IUPAC(2S)-3-methyl-2-piperidin-1-yl-N-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]butanamide
SMILESCC(C)[C@@H](C(=O)Nc1cnn(Cc2ccccn2)c1)N1CCCCC1
InChIInChI=1S/C19H27N5O/c1-15(2)18(23-10-6-3-7-11-23)19(25)22-17-12-21-24(14-17)13-16-8-4-5-9-20-16/h4-5,8-9,12,14-15,18H,3,6-7,10-11,13H2,1-2H3,(H,22,25)/t18-/m0/s1
InChIKeyATDYGWGXDCCILR-SFHVURJKSA-N
MW341.46 g/mol
LogP2.78
Rot. Bonds6

About (2S)-3-methyl-2-piperidin-1-yl-N-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]butanamide

(2S)-3-methyl-2-piperidin-1-yl-N-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]butanamide (PubChem CID 99816503) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is (2S)-3-methyl-2-piperidin-1-yl-N-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]butanamide.

Molecular Properties

Compound Name(2S)-3-methyl-2-piperidin-1-yl-N-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]butanamide
PubChem CID99816503
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC Name(2S)-3-methyl-2-piperidin-1-yl-N-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]butanamide
SMILESCC(C)[C@@H](C(=O)Nc1cnn(Cc2ccccn2)c1)N1CCCCC1
InChIInChI=1S/C19H27N5O/c1-15(2)18(23-10-6-3-7-11-23)19(25)22-17-12-21-24(14-17)13-16-8-4-5-9-20-16/h4-5,8-9,12,14-15,18H,3,6-7,10-11,13H2,1-2H3,(H,22,25)/t18-/m0/s1
InChIKeyATDYGWGXDCCILR-SFHVURJKSA-N
XLogP2.78
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-(2-ethylphenyl)-2-[[1-(pyridin-2-ylmethyl)pyrazol-4-yl]amino]propanamide
CID 129398862
N-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carboxamide
CID 86813351
4-cyclobutyl-N-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]benzamide
CID 119047349
2-(2-methylthiophen-3-yl)-N-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]acetamide
CID 136534909
3-(dimethylamino)-N-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]benzamide
CID 51104194
4-oxo-N-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carboxamide
CID 167833760
1-[(3R,4S)-1,3-dimethylpiperidin-4-yl]-1-methyl-3-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]urea
CID 99849044
1-[1-(2,2-difluoroethyl)pyrazol-4-yl]-3-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]urea
CID 71984854
2-(3-fluorophenyl)-2-methyl-N-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]propanamide
CID 75372346
N-(1-benzylpyrazol-4-yl)-2-bromo-3-methylbutanamide
CID 60934374
4-(oxolan-2-ylmethoxy)-N-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]piperidine-1-carboxamide
CID 126795589
(2R)-3-methyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-2-pyrrolidin-1-ylbutanamide
CID 95979731

Frequently Asked Questions

What is the IUPAC name of (2S)-3-methyl-2-piperidin-1-yl-N-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]butanamide?
The IUPAC name of (2S)-3-methyl-2-piperidin-1-yl-N-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]butanamide (CID 99816503) is (2S)-3-methyl-2-piperidin-1-yl-N-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]butanamide.
What is the SMILES notation for (2S)-3-methyl-2-piperidin-1-yl-N-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]butanamide?
The canonical SMILES for (2S)-3-methyl-2-piperidin-1-yl-N-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]butanamide is CC(C)[C@@H](C(=O)Nc1cnn(Cc2ccccn2)c1)N1CCCCC1.
What is the InChIKey of (2S)-3-methyl-2-piperidin-1-yl-N-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]butanamide?
The InChIKey is ATDYGWGXDCCILR-SFHVURJKSA-N. The full InChI is InChI=1S/C19H27N5O/c1-15(2)18(23-10-6-3-7-11-23)19(25)22-17-12-21-24(14-17)13-16-8-4-5-9-20-16/h4-5,8-9,12,14-15,18H,3,6-7,10-11,13H2,1-2H3,(H,22,25)/t18-/m0/s1.
What are the key properties of (2S)-3-methyl-2-piperidin-1-yl-N-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]butanamide?
(2S)-3-methyl-2-piperidin-1-yl-N-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]butanamide has a molecular weight of 341.46 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-methyl-2-piperidin-1-yl-N-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]butanamide is sourced from PubChem (CID 99816503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).