N-[(E)-(2-chloroimidazo[1,2-a]pyridin-3-yl)methylideneamino]-2,4-dioxo-1H-pyrimidine-6-carboxamide

C13H9ClN6O3 — CID 6899895

IUPACN-[(E)-(2-chloroimidazo[1,2-a]pyridin-3-yl)methylideneamino]-2,4-dioxo-1H-pyrimidine-6-carboxamide
SMILESO=C(N/N=C/c1c(Cl)nc2ccccn12)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C13H9ClN6O3/c14-11-8(20-4-2-1-3-9(20)17-11)6-15-19-12(22)7-5-10(21)18-13(23)16-7/h1-6H,(H,19,22)(H2,16,18,21,23)/b15-6+
InChIKeyHKGKBLAPVKFLFP-GIDUJCDVSA-N
MW332.71 g/mol
LogP0.13
Rot. Bonds3

About N-[(E)-(2-chloroimidazo[1,2-a]pyridin-3-yl)methylideneamino]-2,4-dioxo-1H-pyrimidine-6-carboxamide

N-[(E)-(2-chloroimidazo[1,2-a]pyridin-3-yl)methylideneamino]-2,4-dioxo-1H-pyrimidine-6-carboxamide (PubChem CID 6899895) has the molecular formula C13H9ClN6O3 and a molecular weight of 332.71 g/mol. Its IUPAC name is N-[(E)-(2-chloroimidazo[1,2-a]pyridin-3-yl)methylideneamino]-2,4-dioxo-1H-pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[(E)-(2-chloroimidazo[1,2-a]pyridin-3-yl)methylideneamino]-2,4-dioxo-1H-pyrimidine-6-carboxamide
PubChem CID6899895
Molecular FormulaC13H9ClN6O3
Molecular Weight332.71 g/mol
Exact Mass332.04
IUPAC NameN-[(E)-(2-chloroimidazo[1,2-a]pyridin-3-yl)methylideneamino]-2,4-dioxo-1H-pyrimidine-6-carboxamide
SMILESO=C(N/N=C/c1c(Cl)nc2ccccn12)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C13H9ClN6O3/c14-11-8(20-4-2-1-3-9(20)17-11)6-15-19-12(22)7-5-10(21)18-13(23)16-7/h1-6H,(H,19,22)(H2,16,18,21,23)/b15-6+
InChIKeyHKGKBLAPVKFLFP-GIDUJCDVSA-N
XLogP0.13
TPSA124.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.71
LogP ≤ 50.13
H-Bond Donors ≤ 53
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'}

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Related Compounds

[(2-chloroimidazo[1,2-a]pyridin-3-yl)methylideneamino]urea
CID 75207260
N-[(2-chloroimidazo[1,2-a]pyridin-3-yl)methylideneamino]pyridine-4-carboxamide
CID 2333321
N-[(E)-(2-chloroimidazo[1,2-a]pyridin-3-yl)methylideneamino]pyridine-4-carboxamide
CID 6900980
2,4-dioxo-N-[(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]-1H-pyrimidine-6-carboxamide
CID 2320147
2,4-dioxo-N-[(Z)-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]-1H-pyrimidine-6-carboxamide
CID 6256977
N-[[4-(dimethylamino)phenyl]methylideneamino]-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 4250673
N-[(3-chlorophenyl)methylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 78627381
[(Z)-(2-methylimidazo[1,2-a]pyridin-3-yl)methylideneamino]urea
CID 6215773
N-[(Z)-[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino]-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 5356575
N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 6367976
(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-(4-iodophenyl)prop-2-enamide
CID 26264961
N-[(3-chlorophenyl)methylideneamino]-3-naphthalen-2-yl-1H-pyrazole-5-carboxamide
CID 3393712

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-chloroimidazo[1,2-a]pyridin-3-yl)methylideneamino]-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The IUPAC name of N-[(E)-(2-chloroimidazo[1,2-a]pyridin-3-yl)methylideneamino]-2,4-dioxo-1H-pyrimidine-6-carboxamide (CID 6899895) is N-[(E)-(2-chloroimidazo[1,2-a]pyridin-3-yl)methylideneamino]-2,4-dioxo-1H-pyrimidine-6-carboxamide.
What is the SMILES notation for N-[(E)-(2-chloroimidazo[1,2-a]pyridin-3-yl)methylideneamino]-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The canonical SMILES for N-[(E)-(2-chloroimidazo[1,2-a]pyridin-3-yl)methylideneamino]-2,4-dioxo-1H-pyrimidine-6-carboxamide is O=C(N/N=C/c1c(Cl)nc2ccccn12)c1cc(=O)[nH]c(=O)[nH]1.
What is the InChIKey of N-[(E)-(2-chloroimidazo[1,2-a]pyridin-3-yl)methylideneamino]-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The InChIKey is HKGKBLAPVKFLFP-GIDUJCDVSA-N. The full InChI is InChI=1S/C13H9ClN6O3/c14-11-8(20-4-2-1-3-9(20)17-11)6-15-19-12(22)7-5-10(21)18-13(23)16-7/h1-6H,(H,19,22)(H2,16,18,21,23)/b15-6+.
What are the key properties of N-[(E)-(2-chloroimidazo[1,2-a]pyridin-3-yl)methylideneamino]-2,4-dioxo-1H-pyrimidine-6-carboxamide?
N-[(E)-(2-chloroimidazo[1,2-a]pyridin-3-yl)methylideneamino]-2,4-dioxo-1H-pyrimidine-6-carboxamide has a molecular weight of 332.71 g/mol, XLogP of 0.13, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-chloroimidazo[1,2-a]pyridin-3-yl)methylideneamino]-2,4-dioxo-1H-pyrimidine-6-carboxamide is sourced from PubChem (CID 6899895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).