N-[7-[(4-methyl-2-oxochromen-7-yl)amino]-7-oxoheptyl]pyridine-3-carboxamide

C23H25N3O4 — CID 134148528

IUPACN-[7-[(4-methyl-2-oxochromen-7-yl)amino]-7-oxoheptyl]pyridine-3-carboxamide
SMILESCc1cc(=O)oc2cc(NC(=O)CCCCCCNC(=O)c3cccnc3)ccc12
InChIInChI=1S/C23H25N3O4/c1-16-13-22(28)30-20-14-18(9-10-19(16)20)26-21(27)8-4-2-3-5-12-25-23(29)17-7-6-11-24-15-17/h6-7,9-11,13-15H,2-5,8,12H2,1H3,(H,25,29)(H,26,27)
InChIKeyGYBXEVTXEKNFQG-UHFFFAOYSA-N
MW407.47 g/mol
LogP3.82
Rot. Bonds9

About N-[7-[(4-methyl-2-oxochromen-7-yl)amino]-7-oxoheptyl]pyridine-3-carboxamide

N-[7-[(4-methyl-2-oxochromen-7-yl)amino]-7-oxoheptyl]pyridine-3-carboxamide (PubChem CID 134148528) has the molecular formula C23H25N3O4 and a molecular weight of 407.47 g/mol. Its IUPAC name is N-[7-[(4-methyl-2-oxochromen-7-yl)amino]-7-oxoheptyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[7-[(4-methyl-2-oxochromen-7-yl)amino]-7-oxoheptyl]pyridine-3-carboxamide
PubChem CID134148528
Molecular FormulaC23H25N3O4
Molecular Weight407.47 g/mol
Exact Mass407.18
IUPAC NameN-[7-[(4-methyl-2-oxochromen-7-yl)amino]-7-oxoheptyl]pyridine-3-carboxamide
SMILESCc1cc(=O)oc2cc(NC(=O)CCCCCCNC(=O)c3cccnc3)ccc12
InChIInChI=1S/C23H25N3O4/c1-16-13-22(28)30-20-14-18(9-10-19(16)20)26-21(27)8-4-2-3-5-12-25-23(29)17-7-6-11-24-15-17/h6-7,9-11,13-15H,2-5,8,12H2,1H3,(H,25,29)(H,26,27)
InChIKeyGYBXEVTXEKNFQG-UHFFFAOYSA-N
XLogP3.82
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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[3-(3-carbamoylpyrrol-1-yl)phenyl] N-(6-phenylhexyl)carbamate
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N-(3-methoxyphenyl)nicotinamide
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(2,2,4-trimethyl-1H-quinolin-6-yl) pyridine-3-carboxylate
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2-(2-Propoxy-phenyl)-3H-pyrido[4,3-d]pyrimidin-4-one
CID 135433829
2-Methylphenyl nicotinate
CID 829373
N-(4-methyl-2-oxo-2H-chromen-7-yl)-N'-(3-pyridinylmethyl)thiourea
CID 971374
2-methoxy-N-[3-oxo-3-(pyridin-3-ylamino)propyl]benzamide
CID 2470424
N-(3-isopropoxyphenyl)-4-(trifluoromethyl)nicotinamide
CID 2726832
N-(3-ethoxyphenyl)-4-(trifluoromethyl)nicotinamide
CID 2726853
N-[3-(4-Methoxy-benzoylamino)-propyl]-6-methyl-nicotinamide
CID 6498656

Frequently Asked Questions

What is the IUPAC name of N-[7-[(4-methyl-2-oxochromen-7-yl)amino]-7-oxoheptyl]pyridine-3-carboxamide?
The IUPAC name of N-[7-[(4-methyl-2-oxochromen-7-yl)amino]-7-oxoheptyl]pyridine-3-carboxamide (CID 134148528) is N-[7-[(4-methyl-2-oxochromen-7-yl)amino]-7-oxoheptyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[7-[(4-methyl-2-oxochromen-7-yl)amino]-7-oxoheptyl]pyridine-3-carboxamide?
The canonical SMILES for N-[7-[(4-methyl-2-oxochromen-7-yl)amino]-7-oxoheptyl]pyridine-3-carboxamide is Cc1cc(=O)oc2cc(NC(=O)CCCCCCNC(=O)c3cccnc3)ccc12.
What is the InChIKey of N-[7-[(4-methyl-2-oxochromen-7-yl)amino]-7-oxoheptyl]pyridine-3-carboxamide?
The InChIKey is GYBXEVTXEKNFQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4/c1-16-13-22(28)30-20-14-18(9-10-19(16)20)26-21(27)8-4-2-3-5-12-25-23(29)17-7-6-11-24-15-17/h6-7,9-11,13-15H,2-5,8,12H2,1H3,(H,25,29)(H,26,27).
What are the key properties of N-[7-[(4-methyl-2-oxochromen-7-yl)amino]-7-oxoheptyl]pyridine-3-carboxamide?
N-[7-[(4-methyl-2-oxochromen-7-yl)amino]-7-oxoheptyl]pyridine-3-carboxamide has a molecular weight of 407.47 g/mol, XLogP of 3.82, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-[(4-methyl-2-oxochromen-7-yl)amino]-7-oxoheptyl]pyridine-3-carboxamide is sourced from PubChem (CID 134148528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).