N-[(S)-cyclopropyl-(3-methyl-2-pyridinyl)methyl]-4-pyrazol-1-ylbutanamide

C17H22N4O — CID 125160409

IUPACN-[(S)-cyclopropyl-(3-methyl-2-pyridinyl)methyl]-4-pyrazol-1-ylbutanamide
SMILESCc1cccnc1[C@@H](NC(=O)CCCn1cccn1)C1CC1
InChIInChI=1S/C17H22N4O/c1-13-5-2-9-18-16(13)17(14-7-8-14)20-15(22)6-3-11-21-12-4-10-19-21/h2,4-5,9-10,12,14,17H,3,6-8,11H2,1H3,(H,20,22)/t17-/m0/s1
InChIKeyHIEGVFSFTNMGTQ-KRWDZBQOSA-N
MW298.39 g/mol
LogP2.63
Rot. Bonds7

About N-[(S)-cyclopropyl-(3-methyl-2-pyridinyl)methyl]-4-pyrazol-1-ylbutanamide

N-[(S)-cyclopropyl-(3-methyl-2-pyridinyl)methyl]-4-pyrazol-1-ylbutanamide (PubChem CID 125160409) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is N-[(S)-cyclopropyl-(3-methyl-2-pyridinyl)methyl]-4-pyrazol-1-ylbutanamide.

Molecular Properties

Compound NameN-[(S)-cyclopropyl-(3-methyl-2-pyridinyl)methyl]-4-pyrazol-1-ylbutanamide
PubChem CID125160409
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC NameN-[(S)-cyclopropyl-(3-methyl-2-pyridinyl)methyl]-4-pyrazol-1-ylbutanamide
SMILESCc1cccnc1[C@@H](NC(=O)CCCn1cccn1)C1CC1
InChIInChI=1S/C17H22N4O/c1-13-5-2-9-18-16(13)17(14-7-8-14)20-15(22)6-3-11-21-12-4-10-19-21/h2,4-5,9-10,12,14,17H,3,6-8,11H2,1H3,(H,20,22)/t17-/m0/s1
InChIKeyHIEGVFSFTNMGTQ-KRWDZBQOSA-N
XLogP2.63
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(S)-cyclopropyl-(3-methyl-2-pyridinyl)methyl]-2-pyrrol-1-ylacetamide
CID 125171906
N-[(R)-cyclopropyl-(3-methyl-2-pyridinyl)methyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 125165962
N-[(S)-cyclopropyl-(3-methyl-2-pyridinyl)methyl]-3-phenoxypropanamide
CID 125163176
N-[cyclopropyl-(3-methyl-2-pyridinyl)methyl]-2-pyridin-3-ylacetamide
CID 118791325
N-[(R)-cyclopropyl-(4-methylphenyl)methyl]-2-(2-pyrazol-1-ylethylamino)acetamide
CID 95757886
N-[cyclopropyl-(3-methyl-2-pyridinyl)methyl]-2-(methylamino)-1,3-thiazole-4-carboxamide
CID 122563544
N-[cyclopropyl-(3-methyl-2-pyridinyl)methyl]-3-methoxy-2,2-dimethylpropanamide
CID 122569055
3-(4-methylpiperazin-1-yl)-N-[1-(3-methyl-2-pyridinyl)propyl]propanamide
CID 118768572
1-[(S)-cyclopropyl-(3-methyl-2-pyridinyl)methyl]-3-(1-methyl-3-propan-2-ylpyrazol-5-yl)urea
CID 125164383
N-[cyclopropyl-(3-methyl-2-pyridinyl)methyl]-2-methoxy-6-methylbenzamide
CID 118778909
N-[(1S)-2-(4-methylphenyl)-1-pyridin-2-ylethyl]-4-pyrazol-1-ylbutanamide
CID 96550907
N-(2-hydroxy-1-phenylethyl)-4-pyrazol-1-ylbutanamide
CID 91638874

Frequently Asked Questions

What is the IUPAC name of N-[(S)-cyclopropyl-(3-methyl-2-pyridinyl)methyl]-4-pyrazol-1-ylbutanamide?
The IUPAC name of N-[(S)-cyclopropyl-(3-methyl-2-pyridinyl)methyl]-4-pyrazol-1-ylbutanamide (CID 125160409) is N-[(S)-cyclopropyl-(3-methyl-2-pyridinyl)methyl]-4-pyrazol-1-ylbutanamide.
What is the SMILES notation for N-[(S)-cyclopropyl-(3-methyl-2-pyridinyl)methyl]-4-pyrazol-1-ylbutanamide?
The canonical SMILES for N-[(S)-cyclopropyl-(3-methyl-2-pyridinyl)methyl]-4-pyrazol-1-ylbutanamide is Cc1cccnc1[C@@H](NC(=O)CCCn1cccn1)C1CC1.
What is the InChIKey of N-[(S)-cyclopropyl-(3-methyl-2-pyridinyl)methyl]-4-pyrazol-1-ylbutanamide?
The InChIKey is HIEGVFSFTNMGTQ-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H22N4O/c1-13-5-2-9-18-16(13)17(14-7-8-14)20-15(22)6-3-11-21-12-4-10-19-21/h2,4-5,9-10,12,14,17H,3,6-8,11H2,1H3,(H,20,22)/t17-/m0/s1.
What are the key properties of N-[(S)-cyclopropyl-(3-methyl-2-pyridinyl)methyl]-4-pyrazol-1-ylbutanamide?
N-[(S)-cyclopropyl-(3-methyl-2-pyridinyl)methyl]-4-pyrazol-1-ylbutanamide has a molecular weight of 298.39 g/mol, XLogP of 2.63, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-cyclopropyl-(3-methyl-2-pyridinyl)methyl]-4-pyrazol-1-ylbutanamide is sourced from PubChem (CID 125160409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).