3-[(5-cyano-2-pyridinyl)amino]-N-(4-methyl-2-oxochromen-7-yl)propanamide

C19H16N4O3 — CID 134146093

IUPAC3-[(5-cyano-2-pyridinyl)amino]-N-(4-methyl-2-oxochromen-7-yl)propanamide
SMILESCc1cc(=O)oc2cc(NC(=O)CCNc3ccc(C#N)cn3)ccc12
InChIInChI=1S/C19H16N4O3/c1-12-8-19(25)26-16-9-14(3-4-15(12)16)23-18(24)6-7-21-17-5-2-13(10-20)11-22-17/h2-5,8-9,11H,6-7H2,1H3,(H,21,22)(H,23,24)
InChIKeyPCLLJYYBZVBSSB-UHFFFAOYSA-N
MW348.36 g/mol
LogP2.81
Rot. Bonds5

About 3-[(5-cyano-2-pyridinyl)amino]-N-(4-methyl-2-oxochromen-7-yl)propanamide

3-[(5-cyano-2-pyridinyl)amino]-N-(4-methyl-2-oxochromen-7-yl)propanamide (PubChem CID 134146093) has the molecular formula C19H16N4O3 and a molecular weight of 348.36 g/mol. Its IUPAC name is 3-[(5-cyano-2-pyridinyl)amino]-N-(4-methyl-2-oxochromen-7-yl)propanamide.

Molecular Properties

Compound Name3-[(5-cyano-2-pyridinyl)amino]-N-(4-methyl-2-oxochromen-7-yl)propanamide
PubChem CID134146093
Molecular FormulaC19H16N4O3
Molecular Weight348.36 g/mol
Exact Mass348.12
IUPAC Name3-[(5-cyano-2-pyridinyl)amino]-N-(4-methyl-2-oxochromen-7-yl)propanamide
SMILESCc1cc(=O)oc2cc(NC(=O)CCNc3ccc(C#N)cn3)ccc12
InChIInChI=1S/C19H16N4O3/c1-12-8-19(25)26-16-9-14(3-4-15(12)16)23-18(24)6-7-21-17-5-2-13(10-20)11-22-17/h2-5,8-9,11H,6-7H2,1H3,(H,21,22)(H,23,24)
InChIKeyPCLLJYYBZVBSSB-UHFFFAOYSA-N
XLogP2.81
TPSA108.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-[(5-cyano-2-pyridinyl)amino]-N-(4-methyl-2-oxochromen-7-yl)hexanamide
CID 134131601
2-amino-N-(4-methyl-2-oxochromen-7-yl)acetamide
CID 688482
N'-hydroxy-N-(4-methyl-2-oxochromen-7-yl)octanediamide
CID 53393956
6-acetamido-N-(4-methyl-2-oxochromen-7-yl)hexanamide
CID 10758804
3-cyclopentyl-N-(4-methyl-2-oxochromen-7-yl)propanamide
CID 26878521
6-(ethylcarbamoylamino)-N-(4-methyl-2-oxochromen-7-yl)pyridine-3-carboxamide
CID 122197325
1-[2-(2-cyano-3-fluoroanilino)ethyl]-3-(4-methyl-2-oxochromen-7-yl)urea
CID 47038981
2-(4-chlorophenoxy)-N-(4-methyl-2-oxochromen-7-yl)acetamide
CID 2675768
N-(4-methyl-2-oxochromen-7-yl)-2-(piperidin-4-ylamino)acetamide
CID 134131876
azanide;butanedioic acid;dichloroplatinum(2+);(4-methyl-2-oxochromen-7-yl)carbamic acid
CID 170653162
N-(4-methyl-2-oxochromen-7-yl)-3-(2-oxo-1-pyridinyl)propanamide
CID 172659008
2-methyl-N-[4-[3-[(4-methyl-2-oxochromen-7-yl)amino]-3-oxopropyl]phenyl]propanamide
CID 134132292

Frequently Asked Questions

What is the IUPAC name of 3-[(5-cyano-2-pyridinyl)amino]-N-(4-methyl-2-oxochromen-7-yl)propanamide?
The IUPAC name of 3-[(5-cyano-2-pyridinyl)amino]-N-(4-methyl-2-oxochromen-7-yl)propanamide (CID 134146093) is 3-[(5-cyano-2-pyridinyl)amino]-N-(4-methyl-2-oxochromen-7-yl)propanamide.
What is the SMILES notation for 3-[(5-cyano-2-pyridinyl)amino]-N-(4-methyl-2-oxochromen-7-yl)propanamide?
The canonical SMILES for 3-[(5-cyano-2-pyridinyl)amino]-N-(4-methyl-2-oxochromen-7-yl)propanamide is Cc1cc(=O)oc2cc(NC(=O)CCNc3ccc(C#N)cn3)ccc12.
What is the InChIKey of 3-[(5-cyano-2-pyridinyl)amino]-N-(4-methyl-2-oxochromen-7-yl)propanamide?
The InChIKey is PCLLJYYBZVBSSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O3/c1-12-8-19(25)26-16-9-14(3-4-15(12)16)23-18(24)6-7-21-17-5-2-13(10-20)11-22-17/h2-5,8-9,11H,6-7H2,1H3,(H,21,22)(H,23,24).
What are the key properties of 3-[(5-cyano-2-pyridinyl)amino]-N-(4-methyl-2-oxochromen-7-yl)propanamide?
3-[(5-cyano-2-pyridinyl)amino]-N-(4-methyl-2-oxochromen-7-yl)propanamide has a molecular weight of 348.36 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-cyano-2-pyridinyl)amino]-N-(4-methyl-2-oxochromen-7-yl)propanamide is sourced from PubChem (CID 134146093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).