2-[(6E)-5-imino-4-methyl-6-pentylidene-2-pyridinyl]-7-(1,2,3,6-tetrahydropyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one

C24H27N5O — CID 142510957

IUPAC2-[(6E)-5-imino-4-methyl-6-pentylidene-2-pyridinyl]-7-(1,2,3,6-tetrahydropyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one
SMILES[H]/N=C1\C(C)=CC(c2cc(=O)n3cc(C4=CCNCC4)ccc3n2)=N\C1=C\CCCC
InChIInChI=1S/C24H27N5O/c1-3-4-5-6-19-24(25)16(2)13-20(27-19)21-14-23(30)29-15-18(7-8-22(29)28-21)17-9-11-26-12-10-17/h6-9,13-15,25-26H,3-5,10-12H2,1-2H3/b19-6+,25-24+
InChIKeyMZKGKTQSONXTCK-AUKSZFNLSA-N
MW401.51 g/mol
LogP3.91
Rot. Bonds5

About 2-[(6E)-5-imino-4-methyl-6-pentylidene-2-pyridinyl]-7-(1,2,3,6-tetrahydropyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one

2-[(6E)-5-imino-4-methyl-6-pentylidene-2-pyridinyl]-7-(1,2,3,6-tetrahydropyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 142510957) has the molecular formula C24H27N5O and a molecular weight of 401.51 g/mol. Its IUPAC name is 2-[(6E)-5-imino-4-methyl-6-pentylidene-2-pyridinyl]-7-(1,2,3,6-tetrahydropyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[(6E)-5-imino-4-methyl-6-pentylidene-2-pyridinyl]-7-(1,2,3,6-tetrahydropyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID142510957
Molecular FormulaC24H27N5O
Molecular Weight401.51 g/mol
Exact Mass401.22
IUPAC Name2-[(6E)-5-imino-4-methyl-6-pentylidene-2-pyridinyl]-7-(1,2,3,6-tetrahydropyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one
SMILES[H]/N=C1\C(C)=CC(c2cc(=O)n3cc(C4=CCNCC4)ccc3n2)=N\C1=C\CCCC
InChIInChI=1S/C24H27N5O/c1-3-4-5-6-19-24(25)16(2)13-20(27-19)21-14-23(30)29-15-18(7-8-22(29)28-21)17-9-11-26-12-10-17/h6-9,13-15,25-26H,3-5,10-12H2,1-2H3/b19-6+,25-24+
InChIKeyMZKGKTQSONXTCK-AUKSZFNLSA-N
XLogP3.91
TPSA82.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(6E)-5-imino-4-methyl-6-pentylidene-2-pyridinyl]-7-(1,2,3,6-tetrahydropyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[(6E)-5-imino-4-methyl-6-pentylidene-2-pyridinyl]-7-(1,2,3,6-tetrahydropyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one (CID 142510957) is 2-[(6E)-5-imino-4-methyl-6-pentylidene-2-pyridinyl]-7-(1,2,3,6-tetrahydropyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[(6E)-5-imino-4-methyl-6-pentylidene-2-pyridinyl]-7-(1,2,3,6-tetrahydropyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[(6E)-5-imino-4-methyl-6-pentylidene-2-pyridinyl]-7-(1,2,3,6-tetrahydropyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one is [H]/N=C1\C(C)=CC(c2cc(=O)n3cc(C4=CCNCC4)ccc3n2)=N\C1=C\CCCC.
What is the InChIKey of 2-[(6E)-5-imino-4-methyl-6-pentylidene-2-pyridinyl]-7-(1,2,3,6-tetrahydropyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is MZKGKTQSONXTCK-AUKSZFNLSA-N. The full InChI is InChI=1S/C24H27N5O/c1-3-4-5-6-19-24(25)16(2)13-20(27-19)21-14-23(30)29-15-18(7-8-22(29)28-21)17-9-11-26-12-10-17/h6-9,13-15,25-26H,3-5,10-12H2,1-2H3/b19-6+,25-24+.
What are the key properties of 2-[(6E)-5-imino-4-methyl-6-pentylidene-2-pyridinyl]-7-(1,2,3,6-tetrahydropyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one?
2-[(6E)-5-imino-4-methyl-6-pentylidene-2-pyridinyl]-7-(1,2,3,6-tetrahydropyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 401.51 g/mol, XLogP of 3.91, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6E)-5-imino-4-methyl-6-pentylidene-2-pyridinyl]-7-(1,2,3,6-tetrahydropyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 142510957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).