N-[4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-5-propanoyl-2-pyridinyl]-2-(1-methylazetidin-3-yl)acetamide

C24H29N7O3 — CID 166798983

IUPACN-[4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-5-propanoyl-2-pyridinyl]-2-(1-methylazetidin-3-yl)acetamide
SMILESCCC(=O)c1cnc(NC(=O)CC2CN(C)C2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
InChIInChI=1S/C24H29N7O3/c1-5-20(32)17-11-25-21(28-22(33)9-15-12-30(2)13-15)10-19(17)27-18-8-6-7-16(23(18)34-4)24-26-14-31(3)29-24/h6-8,10-11,14-15H,5,9,12-13H2,1-4H3,(H2,25,27,28,33)
InChIKeyNVHMKIGDVPXZAR-UHFFFAOYSA-N
MW463.54 g/mol
LogP3.11
Rot. Bonds9

About N-[4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-5-propanoyl-2-pyridinyl]-2-(1-methylazetidin-3-yl)acetamide

N-[4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-5-propanoyl-2-pyridinyl]-2-(1-methylazetidin-3-yl)acetamide (PubChem CID 166798983) has the molecular formula C24H29N7O3 and a molecular weight of 463.54 g/mol. Its IUPAC name is N-[4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-5-propanoyl-2-pyridinyl]-2-(1-methylazetidin-3-yl)acetamide.

Molecular Properties

Compound NameN-[4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-5-propanoyl-2-pyridinyl]-2-(1-methylazetidin-3-yl)acetamide
PubChem CID166798983
Molecular FormulaC24H29N7O3
Molecular Weight463.54 g/mol
Exact Mass463.23
IUPAC NameN-[4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-5-propanoyl-2-pyridinyl]-2-(1-methylazetidin-3-yl)acetamide
SMILESCCC(=O)c1cnc(NC(=O)CC2CN(C)C2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
InChIInChI=1S/C24H29N7O3/c1-5-20(32)17-11-25-21(28-22(33)9-15-12-30(2)13-15)10-19(17)27-18-8-6-7-16(23(18)34-4)24-26-14-31(3)29-24/h6-8,10-11,14-15H,5,9,12-13H2,1-4H3,(H2,25,27,28,33)
InChIKeyNVHMKIGDVPXZAR-UHFFFAOYSA-N
XLogP3.11
TPSA114.27 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.54
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

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]-3-pyrrolidin-1-ylpropanamide
CID 166798980
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
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-[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
1-[4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-6-[[6-methyl-5-[(3R)-1-methylpyrrolidin-3-yl]oxy-2-pyridinyl]amino]-3-pyridinyl]propan-1-one
CID 166798913
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-[(1S)-1-(3-hydroxyazetidin-1-yl)ethyl]-2-pyridinyl]amino]-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-3-pyridinyl]propan-1-one
CID 166799067
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
1-[6-[[3-fluoro-5-[(3R)-1-methylpyrrolidin-3-yl]oxy-2-pyridinyl]amino]-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-3-pyridinyl]propan-1-one
CID 166798915
1-[4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-6-[[5-[1-(methylamino)ethyl]-2-pyridinyl]amino]-3-pyridinyl]propan-1-one
CID 166799134
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

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-5-propanoyl-2-pyridinyl]-2-(1-methylazetidin-3-yl)acetamide?
The IUPAC name of 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) is N-[4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-5-propanoyl-2-pyridinyl]-2-(1-methylazetidin-3-yl)acetamide.
What is the SMILES notation for N-[4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-5-propanoyl-2-pyridinyl]-2-(1-methylazetidin-3-yl)acetamide?
The canonical SMILES for N-[4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-5-propanoyl-2-pyridinyl]-2-(1-methylazetidin-3-yl)acetamide is CCC(=O)c1cnc(NC(=O)CC2CN(C)C2)cc1Nc1cccc(-c2ncn(C)n2)c1OC.
What is the InChIKey of N-[4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-5-propanoyl-2-pyridinyl]-2-(1-methylazetidin-3-yl)acetamide?
The InChIKey is NVHMKIGDVPXZAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N7O3/c1-5-20(32)17-11-25-21(28-22(33)9-15-12-30(2)13-15)10-19(17)27-18-8-6-7-16(23(18)34-4)24-26-14-31(3)29-24/h6-8,10-11,14-15H,5,9,12-13H2,1-4H3,(H2,25,27,28,33).
What are the key properties of N-[4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-5-propanoyl-2-pyridinyl]-2-(1-methylazetidin-3-yl)acetamide?
N-[4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-5-propanoyl-2-pyridinyl]-2-(1-methylazetidin-3-yl)acetamide has a molecular weight of 463.54 g/mol, XLogP of 3.11, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-5-propanoyl-2-pyridinyl]-2-(1-methylazetidin-3-yl)acetamide is sourced from PubChem (CID 166798983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).