ethane;6-(2-methylanilino)-5-(prop-1-en-2-ylamino)pyridine-3-carboxamide

C22H36N4O — CID 167512450

IUPACethane;6-(2-methylanilino)-5-(prop-1-en-2-ylamino)pyridine-3-carboxamide
SMILESC=C(C)Nc1cc(C(N)=O)cnc1Nc1ccccc1C.CC.CC.CC
InChIInChI=1S/C16H18N4O.3C2H6/c1-10(2)19-14-8-12(15(17)21)9-18-16(14)20-13-7-5-4-6-11(13)3;3*1-2/h4-9,19H,1H2,2-3H3,(H2,17,21)(H,18,20);3*1-2H3
InChIKeyOBKOYAKMVRBUMR-UHFFFAOYSA-N
MW372.56 g/mol
LogP6.26
Rot. Bonds5

About ethane;6-(2-methylanilino)-5-(prop-1-en-2-ylamino)pyridine-3-carboxamide

ethane;6-(2-methylanilino)-5-(prop-1-en-2-ylamino)pyridine-3-carboxamide (PubChem CID 167512450) has the molecular formula C22H36N4O and a molecular weight of 372.56 g/mol. Its IUPAC name is ethane;6-(2-methylanilino)-5-(prop-1-en-2-ylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Nameethane;6-(2-methylanilino)-5-(prop-1-en-2-ylamino)pyridine-3-carboxamide
PubChem CID167512450
Molecular FormulaC22H36N4O
Molecular Weight372.56 g/mol
Exact Mass372.29
IUPAC Nameethane;6-(2-methylanilino)-5-(prop-1-en-2-ylamino)pyridine-3-carboxamide
SMILESC=C(C)Nc1cc(C(N)=O)cnc1Nc1ccccc1C.CC.CC.CC
InChIInChI=1S/C16H18N4O.3C2H6/c1-10(2)19-14-8-12(15(17)21)9-18-16(14)20-13-7-5-4-6-11(13)3;3*1-2/h4-9,19H,1H2,2-3H3,(H2,17,21)(H,18,20);3*1-2H3
InChIKeyOBKOYAKMVRBUMR-UHFFFAOYSA-N
XLogP6.26
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.56
LogP ≤ 56.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-3-[[5-methyl-4-(2-methylanilino)pyrimidin-2-yl]amino]benzamide
CID 90337576
N-[2-(2-imino-4-methyl-1-pyridinyl)ethyl]-6-(2-methylanilino)-5-(prop-1-en-2-ylamino)pyridine-3-carboxamide
CID 167512139
5-[(4-fluoro-3,5-dimethylbenzoyl)amino]-N-methyl-6-(2-methylanilino)pyridine-3-carboxamide
CID 167512340
4-(2-methylanilino)pyrimidine-5-carboxamide
CID 175855018
ethane;3-methyl-N-[2-(2-methylanilino)-5-(methylcarbamoyl)-3-pyridinyl]isoquinoline-1-carboxamide
CID 167512246
N-[5-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-2-(2-methylanilino)-3-pyridinyl]naphthalene-1-carboxamide
CID 167511967
4-methyl-N-[2-(2-methylanilino)-5-(methylcarbamoyl)-3-pyridinyl]quinoline-2-carboxamide
CID 176510143
N-[2-(2-methylanilino)-5-(methylcarbamothioyl)-3-pyridinyl]-1-benzothiophene-3-carboxamide
CID 176510139
3-methyl-N-[2-(2-methylanilino)-5-(methylcarbamoyl)-3-pyridinyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 176510148
N-methyl-6-(2-methylanilino)-5-(2-phenylhex-4-ynoylamino)pyridine-3-carboxamide
CID 176510162
8-chloro-N-[2-(2-methylanilino)-5-(methylcarbamoyl)-3-pyridinyl]indolizine-2-carboxamide
CID 176510169
N-[(Z)-1,3-diaminoprop-2-enylidene]-5-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]-6-(2-methylanilino)pyridine-3-carboxamide
CID 167512132

Frequently Asked Questions

What is the IUPAC name of ethane;6-(2-methylanilino)-5-(prop-1-en-2-ylamino)pyridine-3-carboxamide?
The IUPAC name of ethane;6-(2-methylanilino)-5-(prop-1-en-2-ylamino)pyridine-3-carboxamide (CID 167512450) is ethane;6-(2-methylanilino)-5-(prop-1-en-2-ylamino)pyridine-3-carboxamide.
What is the SMILES notation for ethane;6-(2-methylanilino)-5-(prop-1-en-2-ylamino)pyridine-3-carboxamide?
The canonical SMILES for ethane;6-(2-methylanilino)-5-(prop-1-en-2-ylamino)pyridine-3-carboxamide is C=C(C)Nc1cc(C(N)=O)cnc1Nc1ccccc1C.CC.CC.CC.
What is the InChIKey of ethane;6-(2-methylanilino)-5-(prop-1-en-2-ylamino)pyridine-3-carboxamide?
The InChIKey is OBKOYAKMVRBUMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O.3C2H6/c1-10(2)19-14-8-12(15(17)21)9-18-16(14)20-13-7-5-4-6-11(13)3;3*1-2/h4-9,19H,1H2,2-3H3,(H2,17,21)(H,18,20);3*1-2H3.
What are the key properties of ethane;6-(2-methylanilino)-5-(prop-1-en-2-ylamino)pyridine-3-carboxamide?
ethane;6-(2-methylanilino)-5-(prop-1-en-2-ylamino)pyridine-3-carboxamide has a molecular weight of 372.56 g/mol, XLogP of 6.26, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-(2-methylanilino)-5-(prop-1-en-2-ylamino)pyridine-3-carboxamide is sourced from PubChem (CID 167512450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).