6-[(7-chloro-4-oxo-3H-pyrido[4,3-d]pyrimidin-5-yl)amino]-N-ethylpyridine-3-carboxamide

C15H13ClN6O2 — CID 164882936

IUPAC6-[(7-chloro-4-oxo-3H-pyrido[4,3-d]pyrimidin-5-yl)amino]-N-ethylpyridine-3-carboxamide
SMILESCCNC(=O)c1ccc(Nc2nc(Cl)cc3nc[nH]c(=O)c23)nc1
InChIInChI=1S/C15H13ClN6O2/c1-2-17-14(23)8-3-4-11(18-6-8)22-13-12-9(5-10(16)21-13)19-7-20-15(12)24/h3-7H,2H2,1H3,(H,17,23)(H,18,21,22)(H,19,20,24)
InChIKeyROWMYMJEIDYFSI-UHFFFAOYSA-N
MW344.76 g/mol
LogP1.86
Rot. Bonds4

About 6-[(7-chloro-4-oxo-3H-pyrido[4,3-d]pyrimidin-5-yl)amino]-N-ethylpyridine-3-carboxamide

6-[(7-chloro-4-oxo-3H-pyrido[4,3-d]pyrimidin-5-yl)amino]-N-ethylpyridine-3-carboxamide (PubChem CID 164882936) has the molecular formula C15H13ClN6O2 and a molecular weight of 344.76 g/mol. Its IUPAC name is 6-[(7-chloro-4-oxo-3H-pyrido[4,3-d]pyrimidin-5-yl)amino]-N-ethylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(7-chloro-4-oxo-3H-pyrido[4,3-d]pyrimidin-5-yl)amino]-N-ethylpyridine-3-carboxamide
PubChem CID164882936
Molecular FormulaC15H13ClN6O2
Molecular Weight344.76 g/mol
Exact Mass344.08
IUPAC Name6-[(7-chloro-4-oxo-3H-pyrido[4,3-d]pyrimidin-5-yl)amino]-N-ethylpyridine-3-carboxamide
SMILESCCNC(=O)c1ccc(Nc2nc(Cl)cc3nc[nH]c(=O)c23)nc1
InChIInChI=1S/C15H13ClN6O2/c1-2-17-14(23)8-3-4-11(18-6-8)22-13-12-9(5-10(16)21-13)19-7-20-15(12)24/h3-7H,2H2,1H3,(H,17,23)(H,18,21,22)(H,19,20,24)
InChIKeyROWMYMJEIDYFSI-UHFFFAOYSA-N
XLogP1.86
TPSA112.66 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.76
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-chloro-N-ethylpyridine-3-carboxamide
CID 819370
N-ethyl-6-hydrazinylpyridine-3-carboxamide
CID 20734038
2-[2-[2-[2-[4-[(7-chloro-4-oxo-3H-pyrido[4,3-d]pyrimidin-5-yl)amino]indol-1-yl]ethoxy]ethoxy]ethoxy]ethylcarbamic acid
CID 138695980
6-amino-N-ethylpyridine-3-carboxamide
CID 62073744
2-chloro-N-ethyl-6-(ethylamino)pyridine-4-carboxamide
CID 62172199
N-ethyl-6-[(1-ethylcyclopropyl)methylamino]pyridine-3-carboxamide
CID 133338368
4-(5-cyano-6-oxo-1H-pyrimidin-4-yl)-N-ethylbenzamide
CID 135516680
2-chloro-N-ethyl-6-methylpyridine-4-carboxamide
CID 89150895
6-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-N-ethylpyridine-3-carboxamide
CID 133351105
N-butyl-6-(3-chloro-4-methoxyanilino)pyridine-3-carboxamide
CID 109151743
N-ethyl-6-quinolin-6-ylpyridine-3-carboxamide
CID 50955108
6-(2,6-dichloroanilino)-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 109153423

Frequently Asked Questions

What is the IUPAC name of 6-[(7-chloro-4-oxo-3H-pyrido[4,3-d]pyrimidin-5-yl)amino]-N-ethylpyridine-3-carboxamide?
The IUPAC name of 6-[(7-chloro-4-oxo-3H-pyrido[4,3-d]pyrimidin-5-yl)amino]-N-ethylpyridine-3-carboxamide (CID 164882936) is 6-[(7-chloro-4-oxo-3H-pyrido[4,3-d]pyrimidin-5-yl)amino]-N-ethylpyridine-3-carboxamide.
What is the SMILES notation for 6-[(7-chloro-4-oxo-3H-pyrido[4,3-d]pyrimidin-5-yl)amino]-N-ethylpyridine-3-carboxamide?
The canonical SMILES for 6-[(7-chloro-4-oxo-3H-pyrido[4,3-d]pyrimidin-5-yl)amino]-N-ethylpyridine-3-carboxamide is CCNC(=O)c1ccc(Nc2nc(Cl)cc3nc[nH]c(=O)c23)nc1.
What is the InChIKey of 6-[(7-chloro-4-oxo-3H-pyrido[4,3-d]pyrimidin-5-yl)amino]-N-ethylpyridine-3-carboxamide?
The InChIKey is ROWMYMJEIDYFSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN6O2/c1-2-17-14(23)8-3-4-11(18-6-8)22-13-12-9(5-10(16)21-13)19-7-20-15(12)24/h3-7H,2H2,1H3,(H,17,23)(H,18,21,22)(H,19,20,24).
What are the key properties of 6-[(7-chloro-4-oxo-3H-pyrido[4,3-d]pyrimidin-5-yl)amino]-N-ethylpyridine-3-carboxamide?
6-[(7-chloro-4-oxo-3H-pyrido[4,3-d]pyrimidin-5-yl)amino]-N-ethylpyridine-3-carboxamide has a molecular weight of 344.76 g/mol, XLogP of 1.86, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(7-chloro-4-oxo-3H-pyrido[4,3-d]pyrimidin-5-yl)amino]-N-ethylpyridine-3-carboxamide is sourced from PubChem (CID 164882936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).