4-(3-carbamoyl-2-methoxyanilino)-6-(cyclopropanecarbonylamino)-N-ethylpyridine-3-carboxamide

C20H23N5O4 — CID 170281200

IUPAC4-(3-carbamoyl-2-methoxyanilino)-6-(cyclopropanecarbonylamino)-N-ethylpyridine-3-carboxamide
SMILESCCNC(=O)c1cnc(NC(=O)C2CC2)cc1Nc1cccc(C(N)=O)c1OC
InChIInChI=1S/C20H23N5O4/c1-3-22-20(28)13-10-23-16(25-19(27)11-7-8-11)9-15(13)24-14-6-4-5-12(18(21)26)17(14)29-2/h4-6,9-11H,3,7-8H2,1-2H3,(H2,21,26)(H,22,28)(H2,23,24,25,27)
InChIKeyJBHLENQKFPJZGN-UHFFFAOYSA-N
MW397.44 g/mol
LogP2.03
Rot. Bonds8

About 4-(3-carbamoyl-2-methoxyanilino)-6-(cyclopropanecarbonylamino)-N-ethylpyridine-3-carboxamide

4-(3-carbamoyl-2-methoxyanilino)-6-(cyclopropanecarbonylamino)-N-ethylpyridine-3-carboxamide (PubChem CID 170281200) has the molecular formula C20H23N5O4 and a molecular weight of 397.44 g/mol. Its IUPAC name is 4-(3-carbamoyl-2-methoxyanilino)-6-(cyclopropanecarbonylamino)-N-ethylpyridine-3-carboxamide.

Molecular Properties

Compound Name4-(3-carbamoyl-2-methoxyanilino)-6-(cyclopropanecarbonylamino)-N-ethylpyridine-3-carboxamide
PubChem CID170281200
Molecular FormulaC20H23N5O4
Molecular Weight397.44 g/mol
Exact Mass397.18
IUPAC Name4-(3-carbamoyl-2-methoxyanilino)-6-(cyclopropanecarbonylamino)-N-ethylpyridine-3-carboxamide
SMILESCCNC(=O)c1cnc(NC(=O)C2CC2)cc1Nc1cccc(C(N)=O)c1OC
InChIInChI=1S/C20H23N5O4/c1-3-22-20(28)13-10-23-16(25-19(27)11-7-8-11)9-15(13)24-14-6-4-5-12(18(21)26)17(14)29-2/h4-6,9-11H,3,7-8H2,1-2H3,(H2,21,26)(H,22,28)(H2,23,24,25,27)
InChIKeyJBHLENQKFPJZGN-UHFFFAOYSA-N
XLogP2.03
TPSA135.44 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.44
LogP ≤ 52.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-(ethylaminocarbamoyl)-4-(2-methoxy-3-pyrimidin-2-ylanilino)-2-pyridinyl]cyclopropanecarboxamide
CID 171532642
6-(cyclopropanecarbonylamino)-4-[3-(5-dicyclopropylphosphanyl-1-methylpyrazol-3-yl)-2-methoxyanilino]pyridine-3-carboxamide
CID 170719755
6-(cyclopropanecarbonylamino)-4-(4-diethylphosphanyl-2-methoxyanilino)pyridine-3-carboxamide
CID 170719834
N-[4-(2-methoxy-3-pyrazin-2-ylanilino)-5-propanoyl-2-pyridinyl]cyclopropanecarboxamide
CID 170318082
6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[1-(oxan-4-yl)pyrazol-4-yl]anilino]pyridine-3-carboxamide
CID 170965738
6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[1-[(7S)-spiro[2.4]heptan-7-yl]pyrazol-4-yl]anilino]pyridine-3-carboxamide
CID 170965831
6-(cyclopropanecarbonylamino)-4-[3-[1-[(1S,2S)-2-fluorocyclopentyl]pyrazol-4-yl]-2-methoxyanilino]pyridine-3-carboxamide
CID 170966064
6-(cyclopropanecarbonylamino)-4-[3-[1-[(3S)-5,8-dioxaspiro[3.4]octan-3-yl]pyrazol-4-yl]-2-methoxyanilino]pyridine-3-carboxamide
CID 170965504
N-[4-[3-(3-dimethylphosphoryl-1,2,4-thiadiazol-5-yl)-2-methoxyanilino]-5-propanoyl-2-pyridinyl]cyclopropanecarboxamide
CID 166171143
6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[1-(5-methylhexan-3-yl)-2H-pyridin-5-yl]anilino]-N-methylpyridine-3-carboxamide
CID 167486474
N-[5-acetyl-4-[3-(5-fluoro-2-pyridinyl)-2-methoxyanilino]-2-pyridinyl]cyclopropanecarboxamide
CID 166492549
6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)anilino]-N-methylpyridine-3-carboxamide
CID 176564124

Frequently Asked Questions

What is the IUPAC name of 4-(3-carbamoyl-2-methoxyanilino)-6-(cyclopropanecarbonylamino)-N-ethylpyridine-3-carboxamide?
The IUPAC name of 4-(3-carbamoyl-2-methoxyanilino)-6-(cyclopropanecarbonylamino)-N-ethylpyridine-3-carboxamide (CID 170281200) is 4-(3-carbamoyl-2-methoxyanilino)-6-(cyclopropanecarbonylamino)-N-ethylpyridine-3-carboxamide.
What is the SMILES notation for 4-(3-carbamoyl-2-methoxyanilino)-6-(cyclopropanecarbonylamino)-N-ethylpyridine-3-carboxamide?
The canonical SMILES for 4-(3-carbamoyl-2-methoxyanilino)-6-(cyclopropanecarbonylamino)-N-ethylpyridine-3-carboxamide is CCNC(=O)c1cnc(NC(=O)C2CC2)cc1Nc1cccc(C(N)=O)c1OC.
What is the InChIKey of 4-(3-carbamoyl-2-methoxyanilino)-6-(cyclopropanecarbonylamino)-N-ethylpyridine-3-carboxamide?
The InChIKey is JBHLENQKFPJZGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O4/c1-3-22-20(28)13-10-23-16(25-19(27)11-7-8-11)9-15(13)24-14-6-4-5-12(18(21)26)17(14)29-2/h4-6,9-11H,3,7-8H2,1-2H3,(H2,21,26)(H,22,28)(H2,23,24,25,27).
What are the key properties of 4-(3-carbamoyl-2-methoxyanilino)-6-(cyclopropanecarbonylamino)-N-ethylpyridine-3-carboxamide?
4-(3-carbamoyl-2-methoxyanilino)-6-(cyclopropanecarbonylamino)-N-ethylpyridine-3-carboxamide has a molecular weight of 397.44 g/mol, XLogP of 2.03, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-carbamoyl-2-methoxyanilino)-6-(cyclopropanecarbonylamino)-N-ethylpyridine-3-carboxamide is sourced from PubChem (CID 170281200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).