6-[2-(methylamino)propylamino]-3-[[(3Z)-5-methylhexa-3,5-dien-2-ylidene]amino]-1H-pyridin-2-one

C16H24N4O — CID 123229958

IUPAC6-[2-(methylamino)propylamino]-3-[[(3Z)-5-methylhexa-3,5-dien-2-ylidene]amino]-1H-pyridin-2-one
SMILESC=C(C)/C=C\C(C)=N\c1ccc(NCC(C)NC)[nH]c1=O
InChIInChI=1S/C16H24N4O/c1-11(2)6-7-12(3)19-14-8-9-15(20-16(14)21)18-10-13(4)17-5/h6-9,13,17H,1,10H2,2-5H3,(H2,18,20,21)/b7-6-,19-12+
InChIKeyGKKKHRFWFKUIQD-FVKKEFOGSA-N
MW288.40 g/mol
LogP2.62
Rot. Bonds7

About 6-[2-(methylamino)propylamino]-3-[[(3Z)-5-methylhexa-3,5-dien-2-ylidene]amino]-1H-pyridin-2-one

6-[2-(methylamino)propylamino]-3-[[(3Z)-5-methylhexa-3,5-dien-2-ylidene]amino]-1H-pyridin-2-one (PubChem CID 123229958) has the molecular formula C16H24N4O and a molecular weight of 288.40 g/mol. Its IUPAC name is 6-[2-(methylamino)propylamino]-3-[[(3Z)-5-methylhexa-3,5-dien-2-ylidene]amino]-1H-pyridin-2-one.

Molecular Properties

Compound Name6-[2-(methylamino)propylamino]-3-[[(3Z)-5-methylhexa-3,5-dien-2-ylidene]amino]-1H-pyridin-2-one
PubChem CID123229958
Molecular FormulaC16H24N4O
Molecular Weight288.40 g/mol
Exact Mass288.20
IUPAC Name6-[2-(methylamino)propylamino]-3-[[(3Z)-5-methylhexa-3,5-dien-2-ylidene]amino]-1H-pyridin-2-one
SMILESC=C(C)/C=C\C(C)=N\c1ccc(NCC(C)NC)[nH]c1=O
InChIInChI=1S/C16H24N4O/c1-11(2)6-7-12(3)19-14-8-9-15(20-16(14)21)18-10-13(4)17-5/h6-9,13,17H,1,10H2,2-5H3,(H2,18,20,21)/b7-6-,19-12+
InChIKeyGKKKHRFWFKUIQD-FVKKEFOGSA-N
XLogP2.62
TPSA69.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(methylamino)propylamino]-3-[[(3Z)-5-methylhexa-3,5-dien-2-ylidene]amino]-1H-pyridin-2-one?
The IUPAC name of 6-[2-(methylamino)propylamino]-3-[[(3Z)-5-methylhexa-3,5-dien-2-ylidene]amino]-1H-pyridin-2-one (CID 123229958) is 6-[2-(methylamino)propylamino]-3-[[(3Z)-5-methylhexa-3,5-dien-2-ylidene]amino]-1H-pyridin-2-one.
What is the SMILES notation for 6-[2-(methylamino)propylamino]-3-[[(3Z)-5-methylhexa-3,5-dien-2-ylidene]amino]-1H-pyridin-2-one?
The canonical SMILES for 6-[2-(methylamino)propylamino]-3-[[(3Z)-5-methylhexa-3,5-dien-2-ylidene]amino]-1H-pyridin-2-one is C=C(C)/C=C\C(C)=N\c1ccc(NCC(C)NC)[nH]c1=O.
What is the InChIKey of 6-[2-(methylamino)propylamino]-3-[[(3Z)-5-methylhexa-3,5-dien-2-ylidene]amino]-1H-pyridin-2-one?
The InChIKey is GKKKHRFWFKUIQD-FVKKEFOGSA-N. The full InChI is InChI=1S/C16H24N4O/c1-11(2)6-7-12(3)19-14-8-9-15(20-16(14)21)18-10-13(4)17-5/h6-9,13,17H,1,10H2,2-5H3,(H2,18,20,21)/b7-6-,19-12+.
What are the key properties of 6-[2-(methylamino)propylamino]-3-[[(3Z)-5-methylhexa-3,5-dien-2-ylidene]amino]-1H-pyridin-2-one?
6-[2-(methylamino)propylamino]-3-[[(3Z)-5-methylhexa-3,5-dien-2-ylidene]amino]-1H-pyridin-2-one has a molecular weight of 288.40 g/mol, XLogP of 2.62, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(methylamino)propylamino]-3-[[(3Z)-5-methylhexa-3,5-dien-2-ylidene]amino]-1H-pyridin-2-one is sourced from PubChem (CID 123229958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).