(2S)-2-phenyl-2-pyrrolidin-1-yl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]acetamide

C19H20N6O — CID 95145415

IUPAC(2S)-2-phenyl-2-pyrrolidin-1-yl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]acetamide
SMILESO=C(Nc1ccc(-n2cncn2)nc1)[C@H](c1ccccc1)N1CCCC1
InChIInChI=1S/C19H20N6O/c26-19(18(24-10-4-5-11-24)15-6-2-1-3-7-15)23-16-8-9-17(21-12-16)25-14-20-13-22-25/h1-3,6-9,12-14,18H,4-5,10-11H2,(H,23,26)/t18-/m0/s1
InChIKeyQRBFLYSJNDJLSX-SFHVURJKSA-N
MW348.41 g/mol
LogP2.44
Rot. Bonds5

About (2S)-2-phenyl-2-pyrrolidin-1-yl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]acetamide

(2S)-2-phenyl-2-pyrrolidin-1-yl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]acetamide (PubChem CID 95145415) has the molecular formula C19H20N6O and a molecular weight of 348.41 g/mol. Its IUPAC name is (2S)-2-phenyl-2-pyrrolidin-1-yl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]acetamide.

Molecular Properties

Compound Name(2S)-2-phenyl-2-pyrrolidin-1-yl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]acetamide
PubChem CID95145415
Molecular FormulaC19H20N6O
Molecular Weight348.41 g/mol
Exact Mass348.17
IUPAC Name(2S)-2-phenyl-2-pyrrolidin-1-yl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]acetamide
SMILESO=C(Nc1ccc(-n2cncn2)nc1)[C@H](c1ccccc1)N1CCCC1
InChIInChI=1S/C19H20N6O/c26-19(18(24-10-4-5-11-24)15-6-2-1-3-7-15)23-16-8-9-17(21-12-16)25-14-20-13-22-25/h1-3,6-9,12-14,18H,4-5,10-11H2,(H,23,26)/t18-/m0/s1
InChIKeyQRBFLYSJNDJLSX-SFHVURJKSA-N
XLogP2.44
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-2-methyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]propanamide
CID 62669805
2-methyl-3-(methylamino)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]propanamide
CID 79195681
1-(benzenesulfonyl)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]cyclopentane-1-carboxamide
CID 30765886
(2R)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 25336972
N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-9H-xanthene-9-carboxamide
CID 39992452
N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]benzenesulfonamide
CID 60732618
5-oxo-5-[[6-(1,2,4-triazol-1-yl)-3-pyridinyl]amino]pentanoic acid
CID 60941239
2-(4-hydroxypiperidin-1-yl)-N-(6-methyl-3-pyridinyl)-2-phenylacetamide
CID 75503728
(2R)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]oxolane-2-carboxamide
CID 51872526
5-phenoxy-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]pyridine-2-carboxamide
CID 154841045
cis-(1R,2S)-2-(2-methoxyphenyl)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]cyclopropane-1-carboxamide
CID 95383107
cis-(1S,2R)-2-(2-methoxyphenyl)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]cyclopropane-1-carboxamide
CID 95383104

Frequently Asked Questions

What is the IUPAC name of (2S)-2-phenyl-2-pyrrolidin-1-yl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]acetamide?
The IUPAC name of (2S)-2-phenyl-2-pyrrolidin-1-yl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]acetamide (CID 95145415) is (2S)-2-phenyl-2-pyrrolidin-1-yl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]acetamide.
What is the SMILES notation for (2S)-2-phenyl-2-pyrrolidin-1-yl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]acetamide?
The canonical SMILES for (2S)-2-phenyl-2-pyrrolidin-1-yl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]acetamide is O=C(Nc1ccc(-n2cncn2)nc1)[C@H](c1ccccc1)N1CCCC1.
What is the InChIKey of (2S)-2-phenyl-2-pyrrolidin-1-yl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]acetamide?
The InChIKey is QRBFLYSJNDJLSX-SFHVURJKSA-N. The full InChI is InChI=1S/C19H20N6O/c26-19(18(24-10-4-5-11-24)15-6-2-1-3-7-15)23-16-8-9-17(21-12-16)25-14-20-13-22-25/h1-3,6-9,12-14,18H,4-5,10-11H2,(H,23,26)/t18-/m0/s1.
What are the key properties of (2S)-2-phenyl-2-pyrrolidin-1-yl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]acetamide?
(2S)-2-phenyl-2-pyrrolidin-1-yl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]acetamide has a molecular weight of 348.41 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-phenyl-2-pyrrolidin-1-yl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]acetamide is sourced from PubChem (CID 95145415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).