(4S)-4-acetamido-4-(2-cyclohexyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)butanamide

C19H26N6O2 — CID 72880360

IUPAC(4S)-4-acetamido-4-(2-cyclohexyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)butanamide
SMILESCC(=O)N[C@@H](CCC(N)=O)c1nc(-c2ccncc2)nn1C1CCCCC1
InChIInChI=1S/C19H26N6O2/c1-13(26)22-16(7-8-17(20)27)19-23-18(14-9-11-21-12-10-14)24-25(19)15-5-3-2-4-6-15/h9-12,15-16H,2-8H2,1H3,(H2,20,27)(H,22,26)/t16-/m0/s1
InChIKeyNATNQBFKHJSRJA-INIZCTEOSA-N
MW370.46 g/mol
LogP2.29
Rot. Bonds7

About (4S)-4-acetamido-4-(2-cyclohexyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)butanamide

(4S)-4-acetamido-4-(2-cyclohexyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)butanamide (PubChem CID 72880360) has the molecular formula C19H26N6O2 and a molecular weight of 370.46 g/mol. Its IUPAC name is (4S)-4-acetamido-4-(2-cyclohexyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)butanamide.

Molecular Properties

Compound Name(4S)-4-acetamido-4-(2-cyclohexyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)butanamide
PubChem CID72880360
Molecular FormulaC19H26N6O2
Molecular Weight370.46 g/mol
Exact Mass370.21
IUPAC Name(4S)-4-acetamido-4-(2-cyclohexyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)butanamide
SMILESCC(=O)N[C@@H](CCC(N)=O)c1nc(-c2ccncc2)nn1C1CCCCC1
InChIInChI=1S/C19H26N6O2/c1-13(26)22-16(7-8-17(20)27)19-23-18(14-9-11-21-12-10-14)24-25(19)15-5-3-2-4-6-15/h9-12,15-16H,2-8H2,1H3,(H2,20,27)(H,22,26)/t16-/m0/s1
InChIKeyNATNQBFKHJSRJA-INIZCTEOSA-N
XLogP2.29
TPSA115.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(1S)-2-cyclohexyl-1-(2-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)ethanamine
CID 72900077
N-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-4-pyridin-4-ylbenzamide
CID 68512967
3-[1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-3-yl]propanamide
CID 133294209
3-(2-cyclohexyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)-5-methyl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine
CID 134127673
3-cyclopentyl-N-[1-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethyl]propanamide
CID 16672583
(2S)-2-acetamido-N-(1-phenylpiperidin-4-yl)pentanediamide
CID 91780032
[1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-4-yl]urea
CID 133344995
N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]cyclohexanecarboxamide
CID 90555260
N-(1-amino-2-cyclopropylpropan-2-yl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide;dihydrochloride
CID 119573306
4-[1-cyclohexyl-5-(oxolan-3-yl)-1,2,4-triazol-3-yl]benzamide
CID 72902869
N-[1-(2-pyridin-4-ylquinazolin-4-yl)piperidin-4-yl]acetamide
CID 49431018
N-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-4-oxo-4-phenylbutanamide
CID 118786649

Frequently Asked Questions

What is the IUPAC name of (4S)-4-acetamido-4-(2-cyclohexyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)butanamide?
The IUPAC name of (4S)-4-acetamido-4-(2-cyclohexyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)butanamide (CID 72880360) is (4S)-4-acetamido-4-(2-cyclohexyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)butanamide.
What is the SMILES notation for (4S)-4-acetamido-4-(2-cyclohexyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)butanamide?
The canonical SMILES for (4S)-4-acetamido-4-(2-cyclohexyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)butanamide is CC(=O)N[C@@H](CCC(N)=O)c1nc(-c2ccncc2)nn1C1CCCCC1.
What is the InChIKey of (4S)-4-acetamido-4-(2-cyclohexyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)butanamide?
The InChIKey is NATNQBFKHJSRJA-INIZCTEOSA-N. The full InChI is InChI=1S/C19H26N6O2/c1-13(26)22-16(7-8-17(20)27)19-23-18(14-9-11-21-12-10-14)24-25(19)15-5-3-2-4-6-15/h9-12,15-16H,2-8H2,1H3,(H2,20,27)(H,22,26)/t16-/m0/s1.
What are the key properties of (4S)-4-acetamido-4-(2-cyclohexyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)butanamide?
(4S)-4-acetamido-4-(2-cyclohexyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)butanamide has a molecular weight of 370.46 g/mol, XLogP of 2.29, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-acetamido-4-(2-cyclohexyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)butanamide is sourced from PubChem (CID 72880360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).