1-[(1S)-2-methyl-1-pyridin-3-ylpropyl]-3-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]phenyl]urea

C20H24N6O — CID 124752402

IUPAC1-[(1S)-2-methyl-1-pyridin-3-ylpropyl]-3-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]phenyl]urea
SMILESCc1nc(Cc2ccc(NC(=O)N[C@H](c3cccnc3)C(C)C)cc2)n[nH]1
InChIInChI=1S/C20H24N6O/c1-13(2)19(16-5-4-10-21-12-16)24-20(27)23-17-8-6-15(7-9-17)11-18-22-14(3)25-26-18/h4-10,12-13,19H,11H2,1-3H3,(H,22,25,26)(H2,23,24,27)/t19-/m0/s1
InChIKeyJJXFBZIOCOQSCW-IBGZPJMESA-N
MW364.45 g/mol
LogP3.62
Rot. Bonds6

About 1-[(1S)-2-methyl-1-pyridin-3-ylpropyl]-3-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]phenyl]urea

1-[(1S)-2-methyl-1-pyridin-3-ylpropyl]-3-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]phenyl]urea (PubChem CID 124752402) has the molecular formula C20H24N6O and a molecular weight of 364.45 g/mol. Its IUPAC name is 1-[(1S)-2-methyl-1-pyridin-3-ylpropyl]-3-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]phenyl]urea.

Molecular Properties

Compound Name1-[(1S)-2-methyl-1-pyridin-3-ylpropyl]-3-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]phenyl]urea
PubChem CID124752402
Molecular FormulaC20H24N6O
Molecular Weight364.45 g/mol
Exact Mass364.20
IUPAC Name1-[(1S)-2-methyl-1-pyridin-3-ylpropyl]-3-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]phenyl]urea
SMILESCc1nc(Cc2ccc(NC(=O)N[C@H](c3cccnc3)C(C)C)cc2)n[nH]1
InChIInChI=1S/C20H24N6O/c1-13(2)19(16-5-4-10-21-12-16)24-20(27)23-17-8-6-15(7-9-17)11-18-22-14(3)25-26-18/h4-10,12-13,19H,11H2,1-3H3,(H,22,25,26)(H2,23,24,27)/t19-/m0/s1
InChIKeyJJXFBZIOCOQSCW-IBGZPJMESA-N
XLogP3.62
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[(1S)-2-methyl-1-pyridin-3-ylpropyl]-3-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]phenyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(2S)-1-methoxypropan-2-yl]-3-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]phenyl]urea
CID 118787319
N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-2-(5-methyl-1H-1,2,4-triazol-3-yl)acetamide
CID 46881653
1-(4-methylphenyl)-3-[(1R)-1-pyridin-3-ylethyl]urea
CID 41430623
1-[(2S)-2-(furan-2-ylmethyl)-3-hydroxypropyl]-3-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]phenyl]urea
CID 97453437
N,2-dimethyl-1-pyridin-3-ylpropan-1-amine
CID 50989033
1-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-3-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]phenyl]urea
CID 72888331
1-[(1S)-2-methyl-1-phenylpropyl]-3-phenylurea
CID 27734199
1-[(1S)-2-methyl-1-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]-3-(3-methylphenyl)urea
CID 97033047
4,4,4-trifluoro-N-(2-methyl-1-pyridin-3-ylpropyl)butanamide
CID 118783705
1-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]phenyl]-3-(4-piperidin-1-yloxolan-3-yl)urea
CID 156607927
1-methyl-3-(1-pyridin-3-ylethyl)urea
CID 115576611
N-(4-fluorophenyl)-2-[[(1R)-1-pyridin-3-ylethyl]amino]acetamide
CID 81404886

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-2-methyl-1-pyridin-3-ylpropyl]-3-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]phenyl]urea?
The IUPAC name of 1-[(1S)-2-methyl-1-pyridin-3-ylpropyl]-3-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]phenyl]urea (CID 124752402) is 1-[(1S)-2-methyl-1-pyridin-3-ylpropyl]-3-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]phenyl]urea.
What is the SMILES notation for 1-[(1S)-2-methyl-1-pyridin-3-ylpropyl]-3-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]phenyl]urea?
The canonical SMILES for 1-[(1S)-2-methyl-1-pyridin-3-ylpropyl]-3-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]phenyl]urea is Cc1nc(Cc2ccc(NC(=O)N[C@H](c3cccnc3)C(C)C)cc2)n[nH]1.
What is the InChIKey of 1-[(1S)-2-methyl-1-pyridin-3-ylpropyl]-3-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]phenyl]urea?
The InChIKey is JJXFBZIOCOQSCW-IBGZPJMESA-N. The full InChI is InChI=1S/C20H24N6O/c1-13(2)19(16-5-4-10-21-12-16)24-20(27)23-17-8-6-15(7-9-17)11-18-22-14(3)25-26-18/h4-10,12-13,19H,11H2,1-3H3,(H,22,25,26)(H2,23,24,27)/t19-/m0/s1.
What are the key properties of 1-[(1S)-2-methyl-1-pyridin-3-ylpropyl]-3-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]phenyl]urea?
1-[(1S)-2-methyl-1-pyridin-3-ylpropyl]-3-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]phenyl]urea has a molecular weight of 364.45 g/mol, XLogP of 3.62, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-2-methyl-1-pyridin-3-ylpropyl]-3-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]phenyl]urea is sourced from PubChem (CID 124752402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).