1-cyclobutyl-3-[4-[[3-methoxy-4-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]-5-propanoyl-2-pyridinyl]urea

C22H26N8O3 — CID 155279496

IUPAC1-cyclobutyl-3-[4-[[3-methoxy-4-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]-5-propanoyl-2-pyridinyl]urea
SMILESCCC(=O)c1cnc(NC(=O)NC2CCC2)cc1Nc1nccc(-c2ncn(C)n2)c1OC
InChIInChI=1S/C22H26N8O3/c1-4-17(31)15-11-24-18(28-22(32)26-13-6-5-7-13)10-16(15)27-21-19(33-3)14(8-9-23-21)20-25-12-30(2)29-20/h8-13H,4-7H2,1-3H3,(H3,23,24,26,27,28,32)
InChIKeyICVHFAWPHCBOAR-UHFFFAOYSA-N
MW450.50 g/mol
LogP3.29
Rot. Bonds8

About 1-cyclobutyl-3-[4-[[3-methoxy-4-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]-5-propanoyl-2-pyridinyl]urea

1-cyclobutyl-3-[4-[[3-methoxy-4-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]-5-propanoyl-2-pyridinyl]urea (PubChem CID 155279496) has the molecular formula C22H26N8O3 and a molecular weight of 450.50 g/mol. Its IUPAC name is 1-cyclobutyl-3-[4-[[3-methoxy-4-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]-5-propanoyl-2-pyridinyl]urea.

Molecular Properties

Compound Name1-cyclobutyl-3-[4-[[3-methoxy-4-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]-5-propanoyl-2-pyridinyl]urea
PubChem CID155279496
Molecular FormulaC22H26N8O3
Molecular Weight450.50 g/mol
Exact Mass450.21
IUPAC Name1-cyclobutyl-3-[4-[[3-methoxy-4-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]-5-propanoyl-2-pyridinyl]urea
SMILESCCC(=O)c1cnc(NC(=O)NC2CCC2)cc1Nc1nccc(-c2ncn(C)n2)c1OC
InChIInChI=1S/C22H26N8O3/c1-4-17(31)15-11-24-18(28-22(32)26-13-6-5-7-13)10-16(15)27-21-19(33-3)14(8-9-23-21)20-25-12-30(2)29-20/h8-13H,4-7H2,1-3H3,(H3,23,24,26,27,28,32)
InChIKeyICVHFAWPHCBOAR-UHFFFAOYSA-N
XLogP3.29
TPSA135.95 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.50
LogP ≤ 53.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 1-cyclobutyl-3-[4-[[3-methoxy-4-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]-5-propanoyl-2-pyridinyl]urea with MolForge

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Launch Full Analysis

Related Compounds

1-tert-butyl-3-[4-[3-(1-ethyl-1,2,4-triazol-3-yl)-2-methoxyanilino]-5-propanoyl-2-pyridinyl]urea;1-cyclobutyl-3-[5-(cyclopropanecarbonyl)-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-2-pyridinyl]urea;1-[5-(cyclopropanecarbonyl)-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-2-pyridinyl]-3-propan-2-ylurea;1-cyclopropyl-3-[4-[3-(1-ethyl-1,2,4-triazol-3-yl)-2-methoxyanilino]-5-propanoyl-2-pyridinyl]urea
CID 158122119
2,2-difluoro-N-[4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-5-propanoyl-2-pyridinyl]cyclopropane-1-carboxamide
CID 162355155
N-[4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-5-propanoyl-2-pyridinyl]-2-(1-methylazetidin-3-yl)acetamide
CID 166798983
N-[4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-5-propanoyl-2-pyridinyl]-3-pyrrolidin-1-ylpropanamide
CID 166798980
1-[6-[[1-(cyclobutylmethyl)pyrazol-3-yl]amino]-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-3-pyridinyl]propan-1-one
CID 170206594
cis-(1R,2R)-2-formyl-N-[4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-5-propanoyl-2-pyridinyl]cyclopropane-1-carboxamide
CID 170209250
tert-butyl N-[(1R,2R)-2-[[4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-5-propanoyl-2-pyridinyl]carbamoyl]cyclopropyl]carbamate
CID 166798922
1-[6-[(5-ethoxy-1-methylpyrazol-3-yl)amino]-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-3-pyridinyl]propan-1-one
CID 170209132
1-[4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-6-[[5-[1-(methylamino)cyclopropyl]pyrazin-2-yl]amino]-3-pyridinyl]propan-1-one
CID 166798873
4-[[3-methoxy-4-(2-methyltetrazol-5-yl)-2-pyridinyl]amino]-6-(propanoylamino)-N-(trideuteriomethyl)pyridine-3-carboxamide
CID 161332681
1-[4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-6-[[5-(2-pyrrolidin-1-ylethoxy)-2-pyridinyl]amino]-3-pyridinyl]propan-1-one
CID 166492567
1-[4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-6-[[5-(piperidin-1-ylmethyl)-2-pyridinyl]amino]-3-pyridinyl]propan-1-one
CID 166798884

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-3-[4-[[3-methoxy-4-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]-5-propanoyl-2-pyridinyl]urea?
The IUPAC name of 1-cyclobutyl-3-[4-[[3-methoxy-4-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]-5-propanoyl-2-pyridinyl]urea (CID 155279496) is 1-cyclobutyl-3-[4-[[3-methoxy-4-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]-5-propanoyl-2-pyridinyl]urea.
What is the SMILES notation for 1-cyclobutyl-3-[4-[[3-methoxy-4-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]-5-propanoyl-2-pyridinyl]urea?
The canonical SMILES for 1-cyclobutyl-3-[4-[[3-methoxy-4-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]-5-propanoyl-2-pyridinyl]urea is CCC(=O)c1cnc(NC(=O)NC2CCC2)cc1Nc1nccc(-c2ncn(C)n2)c1OC.
What is the InChIKey of 1-cyclobutyl-3-[4-[[3-methoxy-4-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]-5-propanoyl-2-pyridinyl]urea?
The InChIKey is ICVHFAWPHCBOAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N8O3/c1-4-17(31)15-11-24-18(28-22(32)26-13-6-5-7-13)10-16(15)27-21-19(33-3)14(8-9-23-21)20-25-12-30(2)29-20/h8-13H,4-7H2,1-3H3,(H3,23,24,26,27,28,32).
What are the key properties of 1-cyclobutyl-3-[4-[[3-methoxy-4-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]-5-propanoyl-2-pyridinyl]urea?
1-cyclobutyl-3-[4-[[3-methoxy-4-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]-5-propanoyl-2-pyridinyl]urea has a molecular weight of 450.50 g/mol, XLogP of 3.29, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-3-[4-[[3-methoxy-4-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]-5-propanoyl-2-pyridinyl]urea is sourced from PubChem (CID 155279496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).