N-methyl-3-pyrazol-1-yl-N-[(1R)-1-pyridin-2-ylbutyl]propanamide

C16H22N4O — CID 95273727

IUPACN-methyl-3-pyrazol-1-yl-N-[(1R)-1-pyridin-2-ylbutyl]propanamide
SMILESCCC[C@H](c1ccccn1)N(C)C(=O)CCn1cccn1
InChIInChI=1S/C16H22N4O/c1-3-7-15(14-8-4-5-10-17-14)19(2)16(21)9-13-20-12-6-11-18-20/h4-6,8,10-12,15H,3,7,9,13H2,1-2H3/t15-/m1/s1
InChIKeyPSDJNRTUARKVRB-OAHLLOKOSA-N
MW286.38 g/mol
LogP2.67
Rot. Bonds7

About N-methyl-3-pyrazol-1-yl-N-[(1R)-1-pyridin-2-ylbutyl]propanamide

N-methyl-3-pyrazol-1-yl-N-[(1R)-1-pyridin-2-ylbutyl]propanamide (PubChem CID 95273727) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is N-methyl-3-pyrazol-1-yl-N-[(1R)-1-pyridin-2-ylbutyl]propanamide.

Molecular Properties

Compound NameN-methyl-3-pyrazol-1-yl-N-[(1R)-1-pyridin-2-ylbutyl]propanamide
PubChem CID95273727
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC NameN-methyl-3-pyrazol-1-yl-N-[(1R)-1-pyridin-2-ylbutyl]propanamide
SMILESCCC[C@H](c1ccccn1)N(C)C(=O)CCn1cccn1
InChIInChI=1S/C16H22N4O/c1-3-7-15(14-8-4-5-10-17-14)19(2)16(21)9-13-20-12-6-11-18-20/h4-6,8,10-12,15H,3,7,9,13H2,1-2H3/t15-/m1/s1
InChIKeyPSDJNRTUARKVRB-OAHLLOKOSA-N
XLogP2.67
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[cyano(pyridin-2-yl)methyl]-N-methylbutanamide
CID 82113915
4-propyl-2-pyridin-2-ylheptan-3-one
CID 82987035
4-(dimethylamino)-4-pyridin-2-ylbutan-2-one
CID 82125654
N-[(1S)-2-(4-methylphenyl)-1-pyridin-2-ylethyl]-4-pyrazol-1-ylbutanamide
CID 96550907
N-[(R)-cyclopropyl(pyridin-2-yl)methyl]-N-methyl-2-pyrazol-1-ylethanamine
CID 125175859
N-(2-hydroxy-3-methoxypropyl)-N-methyl-3-pyrazol-1-ylpropanamide
CID 54993303
N-(4-pyrazol-1-ylbutan-2-yl)pyridin-2-amine
CID 115977889
2-methyl-2-[methyl(3-pyrazol-1-ylpropanoyl)amino]propanoic acid
CID 62817737
N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-3-pyrazol-1-ylpropanamide
CID 86979939
1-[(2S)-1-pyrazol-1-ylpropan-2-yl]-3-[(1S)-1-pyridin-2-ylethyl]urea
CID 97087982
N-(azetidin-3-yl)-N-propyl-3-pyrazol-1-ylpropanamide
CID 66182453
N'-[(1R)-2-methoxy-1-pyridin-2-ylethyl]-N'-methyl-N-(1,3,4-thiadiazol-2-yl)butanediamide
CID 164632916

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-pyrazol-1-yl-N-[(1R)-1-pyridin-2-ylbutyl]propanamide?
The IUPAC name of N-methyl-3-pyrazol-1-yl-N-[(1R)-1-pyridin-2-ylbutyl]propanamide (CID 95273727) is N-methyl-3-pyrazol-1-yl-N-[(1R)-1-pyridin-2-ylbutyl]propanamide.
What is the SMILES notation for N-methyl-3-pyrazol-1-yl-N-[(1R)-1-pyridin-2-ylbutyl]propanamide?
The canonical SMILES for N-methyl-3-pyrazol-1-yl-N-[(1R)-1-pyridin-2-ylbutyl]propanamide is CCC[C@H](c1ccccn1)N(C)C(=O)CCn1cccn1.
What is the InChIKey of N-methyl-3-pyrazol-1-yl-N-[(1R)-1-pyridin-2-ylbutyl]propanamide?
The InChIKey is PSDJNRTUARKVRB-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H22N4O/c1-3-7-15(14-8-4-5-10-17-14)19(2)16(21)9-13-20-12-6-11-18-20/h4-6,8,10-12,15H,3,7,9,13H2,1-2H3/t15-/m1/s1.
What are the key properties of N-methyl-3-pyrazol-1-yl-N-[(1R)-1-pyridin-2-ylbutyl]propanamide?
N-methyl-3-pyrazol-1-yl-N-[(1R)-1-pyridin-2-ylbutyl]propanamide has a molecular weight of 286.38 g/mol, XLogP of 2.67, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-pyrazol-1-yl-N-[(1R)-1-pyridin-2-ylbutyl]propanamide is sourced from PubChem (CID 95273727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).