N-(6-methoxy-3-pyridinyl)-4-oxo-4-pyridin-3-ylbutanamide

C15H15N3O3 — CID 110620858

IUPACN-(6-methoxy-3-pyridinyl)-4-oxo-4-pyridin-3-ylbutanamide
SMILESCOc1ccc(NC(=O)CCC(=O)c2cccnc2)cn1
InChIInChI=1S/C15H15N3O3/c1-21-15-7-4-12(10-17-15)18-14(20)6-5-13(19)11-3-2-8-16-9-11/h2-4,7-10H,5-6H2,1H3,(H,18,20)
InChIKeyHNWKTAPNBMOCRR-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.09
Rot. Bonds6

About N-(6-methoxy-3-pyridinyl)-4-oxo-4-pyridin-3-ylbutanamide

N-(6-methoxy-3-pyridinyl)-4-oxo-4-pyridin-3-ylbutanamide (PubChem CID 110620858) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is N-(6-methoxy-3-pyridinyl)-4-oxo-4-pyridin-3-ylbutanamide.

Molecular Properties

Compound NameN-(6-methoxy-3-pyridinyl)-4-oxo-4-pyridin-3-ylbutanamide
PubChem CID110620858
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC NameN-(6-methoxy-3-pyridinyl)-4-oxo-4-pyridin-3-ylbutanamide
SMILESCOc1ccc(NC(=O)CCC(=O)c2cccnc2)cn1
InChIInChI=1S/C15H15N3O3/c1-21-15-7-4-12(10-17-15)18-14(20)6-5-13(19)11-3-2-8-16-9-11/h2-4,7-10H,5-6H2,1H3,(H,18,20)
InChIKeyHNWKTAPNBMOCRR-UHFFFAOYSA-N
XLogP2.09
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-oxo-N-(4-phenoxyphenyl)-4-pyridin-3-ylbutanamide
CID 110425632
N-(6-methoxy-3-pyridinyl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 46459907
3-acetamido-N-(6-methoxy-3-pyridinyl)propanamide
CID 47096905
4-oxo-4-pyridin-3-yl-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]butanamide
CID 110622852
methyl 4-oxo-4-pyridin-3-ylbutanoate
CID 15913004
1-(4-hydroxy-3,5-dimethoxyphenyl)-4-pyridin-3-ylbutane-1,4-dione
CID 90371023
2-chloro-N-(6-methoxy-3-pyridinyl)acetamide
CID 2561820
N-(6-methoxy-3-pyridinyl)-4-phenylbutanamide
CID 52615794
N-[4-(4-methylpiperazin-1-yl)phenyl]-4-oxo-4-pyridin-3-ylbutanamide
CID 110425405
N-[2-(4-methoxyphenoxy)ethyl]-4-oxo-4-pyridin-3-ylbutanamide
CID 110415100
3-(2,5-dimethylpyrrol-1-yl)-N-(6-methoxy-3-pyridinyl)propanamide
CID 110204854
3-(2-aminoethoxy)-N-(6-methoxy-3-pyridinyl)propanamide
CID 112738961

Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-3-pyridinyl)-4-oxo-4-pyridin-3-ylbutanamide?
The IUPAC name of N-(6-methoxy-3-pyridinyl)-4-oxo-4-pyridin-3-ylbutanamide (CID 110620858) is N-(6-methoxy-3-pyridinyl)-4-oxo-4-pyridin-3-ylbutanamide.
What is the SMILES notation for N-(6-methoxy-3-pyridinyl)-4-oxo-4-pyridin-3-ylbutanamide?
The canonical SMILES for N-(6-methoxy-3-pyridinyl)-4-oxo-4-pyridin-3-ylbutanamide is COc1ccc(NC(=O)CCC(=O)c2cccnc2)cn1.
What is the InChIKey of N-(6-methoxy-3-pyridinyl)-4-oxo-4-pyridin-3-ylbutanamide?
The InChIKey is HNWKTAPNBMOCRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-21-15-7-4-12(10-17-15)18-14(20)6-5-13(19)11-3-2-8-16-9-11/h2-4,7-10H,5-6H2,1H3,(H,18,20).
What are the key properties of N-(6-methoxy-3-pyridinyl)-4-oxo-4-pyridin-3-ylbutanamide?
N-(6-methoxy-3-pyridinyl)-4-oxo-4-pyridin-3-ylbutanamide has a molecular weight of 285.30 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-3-pyridinyl)-4-oxo-4-pyridin-3-ylbutanamide is sourced from PubChem (CID 110620858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).