(3R)-N-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)-3-naphthalen-1-yl-3-pyrrol-1-ylpropanamide

C23H23N5O — CID 125123868

IUPAC(3R)-N-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)-3-naphthalen-1-yl-3-pyrrol-1-ylpropanamide
SMILESO=C(C[C@H](c1cccc2ccccc12)n1cccc1)Nc1n[nH]c(C2CCC2)n1
InChIInChI=1S/C23H23N5O/c29-21(24-23-25-22(26-27-23)17-9-5-10-17)15-20(28-13-3-4-14-28)19-12-6-8-16-7-1-2-11-18(16)19/h1-4,6-8,11-14,17,20H,5,9-10,15H2,(H2,24,25,26,27,29)/t20-/m1/s1
InChIKeyNZKMUXBQNCGRCI-HXUWFJFHSA-N
MW385.47 g/mol
LogP4.65
Rot. Bonds6

About (3R)-N-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)-3-naphthalen-1-yl-3-pyrrol-1-ylpropanamide

(3R)-N-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)-3-naphthalen-1-yl-3-pyrrol-1-ylpropanamide (PubChem CID 125123868) has the molecular formula C23H23N5O and a molecular weight of 385.47 g/mol. Its IUPAC name is (3R)-N-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)-3-naphthalen-1-yl-3-pyrrol-1-ylpropanamide.

Molecular Properties

Compound Name(3R)-N-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)-3-naphthalen-1-yl-3-pyrrol-1-ylpropanamide
PubChem CID125123868
Molecular FormulaC23H23N5O
Molecular Weight385.47 g/mol
Exact Mass385.19
IUPAC Name(3R)-N-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)-3-naphthalen-1-yl-3-pyrrol-1-ylpropanamide
SMILESO=C(C[C@H](c1cccc2ccccc12)n1cccc1)Nc1n[nH]c(C2CCC2)n1
InChIInChI=1S/C23H23N5O/c29-21(24-23-25-22(26-27-23)17-9-5-10-17)15-20(28-13-3-4-14-28)19-12-6-8-16-7-1-2-11-18(16)19/h1-4,6-8,11-14,17,20H,5,9-10,15H2,(H2,24,25,26,27,29)/t20-/m1/s1
InChIKeyNZKMUXBQNCGRCI-HXUWFJFHSA-N
XLogP4.65
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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N-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-4-pyrrol-1-ylbutanamide
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(3S)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-naphthalen-1-yl-3-pyrrol-1-ylpropanamide
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N-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)-1-benzofuran-3-carboxamide
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(3R)-N-(3H-benzimidazol-5-yl)-3-naphthalen-1-yl-3-pyrrol-1-ylpropanamide
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methyl 2-[[(3S)-3-naphthalen-1-yl-3-pyrrol-1-ylpropanoyl]amino]acetate
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CID 110204742
(3S)-3-naphthalen-1-yl-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-3-pyrrol-1-ylpropanamide
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(3R)-1-[(4aS,8aS)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-3-naphthalen-1-yl-3-pyrrol-1-ylpropan-1-one
CID 125123969
N-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-4-(4-oxo-1,2,3-benzotriazin-3-yl)butanamide
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(3R)-3-naphthalen-1-yl-3-pyrrol-1-yl-N-(2-thiomorpholin-4-ylsulfonylethyl)propanamide
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Frequently Asked Questions

What is the IUPAC name of (3R)-N-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)-3-naphthalen-1-yl-3-pyrrol-1-ylpropanamide?
The IUPAC name of (3R)-N-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)-3-naphthalen-1-yl-3-pyrrol-1-ylpropanamide (CID 125123868) is (3R)-N-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)-3-naphthalen-1-yl-3-pyrrol-1-ylpropanamide.
What is the SMILES notation for (3R)-N-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)-3-naphthalen-1-yl-3-pyrrol-1-ylpropanamide?
The canonical SMILES for (3R)-N-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)-3-naphthalen-1-yl-3-pyrrol-1-ylpropanamide is O=C(C[C@H](c1cccc2ccccc12)n1cccc1)Nc1n[nH]c(C2CCC2)n1.
What is the InChIKey of (3R)-N-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)-3-naphthalen-1-yl-3-pyrrol-1-ylpropanamide?
The InChIKey is NZKMUXBQNCGRCI-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H23N5O/c29-21(24-23-25-22(26-27-23)17-9-5-10-17)15-20(28-13-3-4-14-28)19-12-6-8-16-7-1-2-11-18(16)19/h1-4,6-8,11-14,17,20H,5,9-10,15H2,(H2,24,25,26,27,29)/t20-/m1/s1.
What are the key properties of (3R)-N-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)-3-naphthalen-1-yl-3-pyrrol-1-ylpropanamide?
(3R)-N-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)-3-naphthalen-1-yl-3-pyrrol-1-ylpropanamide has a molecular weight of 385.47 g/mol, XLogP of 4.65, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)-3-naphthalen-1-yl-3-pyrrol-1-ylpropanamide is sourced from PubChem (CID 125123868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).