6-(ethylcarbamoylamino)-N-(4-methyl-2-oxochromen-7-yl)pyridine-3-carboxamide

C19H18N4O4 — CID 122197325

IUPAC6-(ethylcarbamoylamino)-N-(4-methyl-2-oxochromen-7-yl)pyridine-3-carboxamide
SMILESCCNC(=O)Nc1ccc(C(=O)Nc2ccc3c(C)cc(=O)oc3c2)cn1
InChIInChI=1S/C19H18N4O4/c1-3-20-19(26)23-16-7-4-12(10-21-16)18(25)22-13-5-6-14-11(2)8-17(24)27-15(14)9-13/h4-10H,3H2,1-2H3,(H,22,25)(H2,20,21,23,26)
InChIKeyXHSGDRIRSVQRAH-UHFFFAOYSA-N
MW366.38 g/mol
LogP2.89
Rot. Bonds4

About 6-(ethylcarbamoylamino)-N-(4-methyl-2-oxochromen-7-yl)pyridine-3-carboxamide

6-(ethylcarbamoylamino)-N-(4-methyl-2-oxochromen-7-yl)pyridine-3-carboxamide (PubChem CID 122197325) has the molecular formula C19H18N4O4 and a molecular weight of 366.38 g/mol. Its IUPAC name is 6-(ethylcarbamoylamino)-N-(4-methyl-2-oxochromen-7-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(ethylcarbamoylamino)-N-(4-methyl-2-oxochromen-7-yl)pyridine-3-carboxamide
PubChem CID122197325
Molecular FormulaC19H18N4O4
Molecular Weight366.38 g/mol
Exact Mass366.13
IUPAC Name6-(ethylcarbamoylamino)-N-(4-methyl-2-oxochromen-7-yl)pyridine-3-carboxamide
SMILESCCNC(=O)Nc1ccc(C(=O)Nc2ccc3c(C)cc(=O)oc3c2)cn1
InChIInChI=1S/C19H18N4O4/c1-3-20-19(26)23-16-7-4-12(10-21-16)18(25)22-13-5-6-14-11(2)8-17(24)27-15(14)9-13/h4-10H,3H2,1-2H3,(H,22,25)(H2,20,21,23,26)
InChIKeyXHSGDRIRSVQRAH-UHFFFAOYSA-N
XLogP2.89
TPSA113.33 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.38
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4-methyl-2-oxochromen-7-yl)pyridine-4-carboxamide
CID 18170333
4-[(4-methyl-2-oxochromen-7-yl)carbamoyl]benzoic acid
CID 134155841
4-bromo-N-(4-methyl-2-oxochromen-7-yl)benzamide
CID 2675719
N-(5-chloro-2-pyridinyl)-4-(4-methyl-2-oxochromen-7-yl)benzamide
CID 154700861
N-(4-ethylphenyl)-4-(4-methyl-2-oxochromen-7-yl)benzamide
CID 154700876
3-(diethylsulfamoyl)-4-methoxy-N-(4-methyl-2-oxochromen-7-yl)benzamide
CID 26211930
N-(3,4-diethoxyphenyl)-4-[(4-methyl-2-oxochromen-7-yl)oxymethyl]benzamide
CID 16551304
1-tert-butyl-3-(4-methyl-2-oxochromen-7-yl)urea
CID 110749119
3-[(5-cyano-2-pyridinyl)amino]-N-(4-methyl-2-oxochromen-7-yl)propanamide
CID 134146093
N-(4-methyl-2-oxochromen-7-yl)furan-2-carboxamide
CID 8840067
1-(4-methyl-2-oxochromen-7-yl)-3-[(2S)-2-phenylpropyl]urea
CID 94756587
N-(4-methyl-2-oxochromen-7-yl)-3H-benzimidazole-5-carboxamide;2,2,2-trifluoroacetic acid
CID 134150768

Frequently Asked Questions

What is the IUPAC name of 6-(ethylcarbamoylamino)-N-(4-methyl-2-oxochromen-7-yl)pyridine-3-carboxamide?
The IUPAC name of 6-(ethylcarbamoylamino)-N-(4-methyl-2-oxochromen-7-yl)pyridine-3-carboxamide (CID 122197325) is 6-(ethylcarbamoylamino)-N-(4-methyl-2-oxochromen-7-yl)pyridine-3-carboxamide.
What is the SMILES notation for 6-(ethylcarbamoylamino)-N-(4-methyl-2-oxochromen-7-yl)pyridine-3-carboxamide?
The canonical SMILES for 6-(ethylcarbamoylamino)-N-(4-methyl-2-oxochromen-7-yl)pyridine-3-carboxamide is CCNC(=O)Nc1ccc(C(=O)Nc2ccc3c(C)cc(=O)oc3c2)cn1.
What is the InChIKey of 6-(ethylcarbamoylamino)-N-(4-methyl-2-oxochromen-7-yl)pyridine-3-carboxamide?
The InChIKey is XHSGDRIRSVQRAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O4/c1-3-20-19(26)23-16-7-4-12(10-21-16)18(25)22-13-5-6-14-11(2)8-17(24)27-15(14)9-13/h4-10H,3H2,1-2H3,(H,22,25)(H2,20,21,23,26).
What are the key properties of 6-(ethylcarbamoylamino)-N-(4-methyl-2-oxochromen-7-yl)pyridine-3-carboxamide?
6-(ethylcarbamoylamino)-N-(4-methyl-2-oxochromen-7-yl)pyridine-3-carboxamide has a molecular weight of 366.38 g/mol, XLogP of 2.89, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(ethylcarbamoylamino)-N-(4-methyl-2-oxochromen-7-yl)pyridine-3-carboxamide is sourced from PubChem (CID 122197325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).