N-[(E)-(2-chloro-4-oxopyrido[1,2-a]pyrimidin-3-yl)methylideneamino]pyridine-3-carboxamide

C15H10ClN5O2 — CID 6899155

IUPACN-[(E)-(2-chloro-4-oxopyrido[1,2-a]pyrimidin-3-yl)methylideneamino]pyridine-3-carboxamide
SMILESO=C(N/N=C/c1c(Cl)nc2ccccn2c1=O)c1cccnc1
InChIInChI=1S/C15H10ClN5O2/c16-13-11(15(23)21-7-2-1-5-12(21)19-13)9-18-20-14(22)10-4-3-6-17-8-10/h1-9H,(H,20,22)/b18-9+
InChIKeyCUKVDIKXSAKVOY-GIJQJNRQSA-N
MW327.73 g/mol
LogP1.51
Rot. Bonds3

About N-[(E)-(2-chloro-4-oxopyrido[1,2-a]pyrimidin-3-yl)methylideneamino]pyridine-3-carboxamide

N-[(E)-(2-chloro-4-oxopyrido[1,2-a]pyrimidin-3-yl)methylideneamino]pyridine-3-carboxamide (PubChem CID 6899155) has the molecular formula C15H10ClN5O2 and a molecular weight of 327.73 g/mol. Its IUPAC name is N-[(E)-(2-chloro-4-oxopyrido[1,2-a]pyrimidin-3-yl)methylideneamino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-(2-chloro-4-oxopyrido[1,2-a]pyrimidin-3-yl)methylideneamino]pyridine-3-carboxamide
PubChem CID6899155
Molecular FormulaC15H10ClN5O2
Molecular Weight327.73 g/mol
Exact Mass327.05
IUPAC NameN-[(E)-(2-chloro-4-oxopyrido[1,2-a]pyrimidin-3-yl)methylideneamino]pyridine-3-carboxamide
SMILESO=C(N/N=C/c1c(Cl)nc2ccccn2c1=O)c1cccnc1
InChIInChI=1S/C15H10ClN5O2/c16-13-11(15(23)21-7-2-1-5-12(21)19-13)9-18-20-14(22)10-4-3-6-17-8-10/h1-9H,(H,20,22)/b18-9+
InChIKeyCUKVDIKXSAKVOY-GIJQJNRQSA-N
XLogP1.51
TPSA88.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.73
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(E)-(2-chloro-4-oxopyrido[1,2-a]pyrimidin-3-yl)methylideneamino]pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-Piperidin-1-yl-nicotinamide
CID 787224
N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]pyridine-3-carboxamide
CID 5338182
4-oxo-N-[(E)-pyridin-4-ylmethylideneamino]-3H-quinazoline-2-carboxamide
CID 135691092
5-Chloro-2-imino-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 59151572
N'-(1-Methylethylidene)nicotinohydrazide
CID 273517
N-[(E)-benzylideneamino]pyridine-3-carboxamide
CID 6869162
N-[[4-(pyridine-3-carbonylhydrazinylidene)cyclohexylidene]amino]pyridine-3-carboxamide
CID 1097248
N-[3-Cyano-8-methyl-10-oxo-1-pentyl-1,10-dihydro-1,9,10a-triaza-anthracen-(2E)-ylidene]-nicotinamid e
CID 2014688
N-[1-Butyl-3-cyano-8-methyl-10-oxo-1,10-dihydro-1,9,10a-triaza-anthracen-(2E)-ylidene]-nicotinamide
CID 4268164
(E)-N-(2-oxo-2-(2-(pyridin-3-ylmethylene)hydrazinyl)ethyl)nicotinamide
CID 9635777
N'-[(1E,2E)-2-methyl-3-phenylprop-2-enylidene]nicotinohydrazide
CID 6893677
3-[3-(Dibutylamino)propyl]pyrido[2,3-d]pyrimidin-4(3H)-one
CID 360824

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-chloro-4-oxopyrido[1,2-a]pyrimidin-3-yl)methylideneamino]pyridine-3-carboxamide?
The IUPAC name of N-[(E)-(2-chloro-4-oxopyrido[1,2-a]pyrimidin-3-yl)methylideneamino]pyridine-3-carboxamide (CID 6899155) is N-[(E)-(2-chloro-4-oxopyrido[1,2-a]pyrimidin-3-yl)methylideneamino]pyridine-3-carboxamide.
What is the SMILES notation for N-[(E)-(2-chloro-4-oxopyrido[1,2-a]pyrimidin-3-yl)methylideneamino]pyridine-3-carboxamide?
The canonical SMILES for N-[(E)-(2-chloro-4-oxopyrido[1,2-a]pyrimidin-3-yl)methylideneamino]pyridine-3-carboxamide is O=C(N/N=C/c1c(Cl)nc2ccccn2c1=O)c1cccnc1.
What is the InChIKey of N-[(E)-(2-chloro-4-oxopyrido[1,2-a]pyrimidin-3-yl)methylideneamino]pyridine-3-carboxamide?
The InChIKey is CUKVDIKXSAKVOY-GIJQJNRQSA-N. The full InChI is InChI=1S/C15H10ClN5O2/c16-13-11(15(23)21-7-2-1-5-12(21)19-13)9-18-20-14(22)10-4-3-6-17-8-10/h1-9H,(H,20,22)/b18-9+.
What are the key properties of N-[(E)-(2-chloro-4-oxopyrido[1,2-a]pyrimidin-3-yl)methylideneamino]pyridine-3-carboxamide?
N-[(E)-(2-chloro-4-oxopyrido[1,2-a]pyrimidin-3-yl)methylideneamino]pyridine-3-carboxamide has a molecular weight of 327.73 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-chloro-4-oxopyrido[1,2-a]pyrimidin-3-yl)methylideneamino]pyridine-3-carboxamide is sourced from PubChem (CID 6899155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).