3-methoxy-N-[3-oxo-3-(pyridin-4-ylamino)propyl]benzamide

C16H17N3O3 — CID 17226091

IUPAC3-methoxy-N-[3-oxo-3-(pyridin-4-ylamino)propyl]benzamide
SMILESCOc1cccc(C(=O)NCCC(=O)Nc2ccncc2)c1
InChIInChI=1S/C16H17N3O3/c1-22-14-4-2-3-12(11-14)16(21)18-10-7-15(20)19-13-5-8-17-9-6-13/h2-6,8-9,11H,7,10H2,1H3,(H,18,21)(H,17,19,20)
InChIKeyBBHHDVPWBTVSNK-UHFFFAOYSA-N
MW299.33 g/mol
LogP1.85
Rot. Bonds6

About 3-methoxy-N-[3-oxo-3-(pyridin-4-ylamino)propyl]benzamide

3-methoxy-N-[3-oxo-3-(pyridin-4-ylamino)propyl]benzamide (PubChem CID 17226091) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is 3-methoxy-N-[3-oxo-3-(pyridin-4-ylamino)propyl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[3-oxo-3-(pyridin-4-ylamino)propyl]benzamide
PubChem CID17226091
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC Name3-methoxy-N-[3-oxo-3-(pyridin-4-ylamino)propyl]benzamide
SMILESCOc1cccc(C(=O)NCCC(=O)Nc2ccncc2)c1
InChIInChI=1S/C16H17N3O3/c1-22-14-4-2-3-12(11-14)16(21)18-10-7-15(20)19-13-5-8-17-9-6-13/h2-6,8-9,11H,7,10H2,1H3,(H,18,21)(H,17,19,20)
InChIKeyBBHHDVPWBTVSNK-UHFFFAOYSA-N
XLogP1.85
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(4-fluoroanilino)-3-oxopropyl]-3-methoxybenzamide
CID 17226080
3-methoxy-N-[3-(3-methylanilino)-3-oxopropyl]benzamide
CID 17226085
ethyl 3-[3-[(3-methoxybenzoyl)amino]propanoylamino]benzoate
CID 17226184
N-[3-(3-chloro-4-fluoroanilino)-3-oxopropyl]-3-methoxybenzamide
CID 17226122
N-(3-anilino-3-oxopropyl)-3,5-dimethoxybenzamide
CID 17191598
tert-butyl N-[3-[4-[(3-methoxybenzoyl)amino]anilino]-3-oxopropyl]carbamate
CID 108919818
2-[3-[(3-methoxybenzoyl)amino]propanoylamino]benzamide
CID 17226172
3-methoxy-N-[3-[(4-methyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]benzamide
CID 17226207
N-[3-[4-(azepan-1-ylsulfonyl)anilino]-3-oxopropyl]-3-methoxybenzamide
CID 17226245
3-methoxy-N-[3-oxo-3-(4-piperidin-1-ylsulfonylanilino)propyl]benzamide
CID 17226232
3-methoxy-N-[3-[(3-methoxybenzoyl)amino]propyl]benzamide
CID 2167030
N-[3-(3,5-dimethoxyanilino)-3-oxopropyl]benzamide
CID 9096644

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[3-oxo-3-(pyridin-4-ylamino)propyl]benzamide?
The IUPAC name of 3-methoxy-N-[3-oxo-3-(pyridin-4-ylamino)propyl]benzamide (CID 17226091) is 3-methoxy-N-[3-oxo-3-(pyridin-4-ylamino)propyl]benzamide.
What is the SMILES notation for 3-methoxy-N-[3-oxo-3-(pyridin-4-ylamino)propyl]benzamide?
The canonical SMILES for 3-methoxy-N-[3-oxo-3-(pyridin-4-ylamino)propyl]benzamide is COc1cccc(C(=O)NCCC(=O)Nc2ccncc2)c1.
What is the InChIKey of 3-methoxy-N-[3-oxo-3-(pyridin-4-ylamino)propyl]benzamide?
The InChIKey is BBHHDVPWBTVSNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3/c1-22-14-4-2-3-12(11-14)16(21)18-10-7-15(20)19-13-5-8-17-9-6-13/h2-6,8-9,11H,7,10H2,1H3,(H,18,21)(H,17,19,20).
What are the key properties of 3-methoxy-N-[3-oxo-3-(pyridin-4-ylamino)propyl]benzamide?
3-methoxy-N-[3-oxo-3-(pyridin-4-ylamino)propyl]benzamide has a molecular weight of 299.33 g/mol, XLogP of 1.85, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[3-oxo-3-(pyridin-4-ylamino)propyl]benzamide is sourced from PubChem (CID 17226091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).