N-[4-(2-methoxy-3-pyrazin-2-ylanilino)-5-propanoyl-2-pyridinyl]cyclopropanecarboxamide

C23H23N5O3 — CID 170318082

IUPACN-[4-(2-methoxy-3-pyrazin-2-ylanilino)-5-propanoyl-2-pyridinyl]cyclopropanecarboxamide
SMILESCCC(=O)c1cnc(NC(=O)C2CC2)cc1Nc1cccc(-c2cnccn2)c1OC
InChIInChI=1S/C23H23N5O3/c1-3-20(29)16-12-26-21(28-23(30)14-7-8-14)11-18(16)27-17-6-4-5-15(22(17)31-2)19-13-24-9-10-25-19/h4-6,9-14H,3,7-8H2,1-2H3,(H2,26,27,28,30)
InChIKeyWFAVULQTJCJDFY-UHFFFAOYSA-N
MW417.47 g/mol
LogP4.23
Rot. Bonds8

About N-[4-(2-methoxy-3-pyrazin-2-ylanilino)-5-propanoyl-2-pyridinyl]cyclopropanecarboxamide

N-[4-(2-methoxy-3-pyrazin-2-ylanilino)-5-propanoyl-2-pyridinyl]cyclopropanecarboxamide (PubChem CID 170318082) has the molecular formula C23H23N5O3 and a molecular weight of 417.47 g/mol. Its IUPAC name is N-[4-(2-methoxy-3-pyrazin-2-ylanilino)-5-propanoyl-2-pyridinyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-(2-methoxy-3-pyrazin-2-ylanilino)-5-propanoyl-2-pyridinyl]cyclopropanecarboxamide
PubChem CID170318082
Molecular FormulaC23H23N5O3
Molecular Weight417.47 g/mol
Exact Mass417.18
IUPAC NameN-[4-(2-methoxy-3-pyrazin-2-ylanilino)-5-propanoyl-2-pyridinyl]cyclopropanecarboxamide
SMILESCCC(=O)c1cnc(NC(=O)C2CC2)cc1Nc1cccc(-c2cnccn2)c1OC
InChIInChI=1S/C23H23N5O3/c1-3-20(29)16-12-26-21(28-23(30)14-7-8-14)11-18(16)27-17-6-4-5-15(22(17)31-2)19-13-24-9-10-25-19/h4-6,9-14H,3,7-8H2,1-2H3,(H2,26,27,28,30)
InChIKeyWFAVULQTJCJDFY-UHFFFAOYSA-N
XLogP4.23
TPSA106.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-[3-(3-dimethylphosphoryl-1,2,4-thiadiazol-5-yl)-2-methoxyanilino]-5-propanoyl-2-pyridinyl]cyclopropanecarboxamide
CID 166171143
N-[5-(ethylaminocarbamoyl)-4-(2-methoxy-3-pyrimidin-2-ylanilino)-2-pyridinyl]cyclopropanecarboxamide
CID 171532642
N-[5-acetyl-4-[3-(5-fluoro-2-pyridinyl)-2-methoxyanilino]-2-pyridinyl]cyclopropanecarboxamide
CID 166492549
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
4-(3-carbamoyl-2-methoxyanilino)-6-(cyclopropanecarbonylamino)-N-ethylpyridine-3-carboxamide
CID 170281200
1-[6-chloro-4-(2-methoxy-3-pyrazin-2-ylanilino)-3-pyridinyl]ethanone
CID 170318107
6-(cyclopropanecarbonylamino)-4-[3-(5-dicyclopropylphosphanyl-1-methylpyrazol-3-yl)-2-methoxyanilino]pyridine-3-carboxamide
CID 170719755
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
N-[4-[3-(3-dimethylphosphanylphenyl)-2-methoxyanilino]-5-propanoyl-2-pyridinyl]-2-methylpropanamide
CID 166171017
N-[5-(cyclopropanecarbonyl)-4-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-2-pyridinyl]cyclopropanecarboxamide;methane
CID 161137415
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

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methoxy-3-pyrazin-2-ylanilino)-5-propanoyl-2-pyridinyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-(2-methoxy-3-pyrazin-2-ylanilino)-5-propanoyl-2-pyridinyl]cyclopropanecarboxamide (CID 170318082) is N-[4-(2-methoxy-3-pyrazin-2-ylanilino)-5-propanoyl-2-pyridinyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-(2-methoxy-3-pyrazin-2-ylanilino)-5-propanoyl-2-pyridinyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-(2-methoxy-3-pyrazin-2-ylanilino)-5-propanoyl-2-pyridinyl]cyclopropanecarboxamide is CCC(=O)c1cnc(NC(=O)C2CC2)cc1Nc1cccc(-c2cnccn2)c1OC.
What is the InChIKey of N-[4-(2-methoxy-3-pyrazin-2-ylanilino)-5-propanoyl-2-pyridinyl]cyclopropanecarboxamide?
The InChIKey is WFAVULQTJCJDFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O3/c1-3-20(29)16-12-26-21(28-23(30)14-7-8-14)11-18(16)27-17-6-4-5-15(22(17)31-2)19-13-24-9-10-25-19/h4-6,9-14H,3,7-8H2,1-2H3,(H2,26,27,28,30).
What are the key properties of N-[4-(2-methoxy-3-pyrazin-2-ylanilino)-5-propanoyl-2-pyridinyl]cyclopropanecarboxamide?
N-[4-(2-methoxy-3-pyrazin-2-ylanilino)-5-propanoyl-2-pyridinyl]cyclopropanecarboxamide has a molecular weight of 417.47 g/mol, XLogP of 4.23, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methoxy-3-pyrazin-2-ylanilino)-5-propanoyl-2-pyridinyl]cyclopropanecarboxamide is sourced from PubChem (CID 170318082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).