N-[3-[(6-methoxy-3-pyridinyl)methylamino]-3-oxopropyl]benzamide

C17H19N3O3 — CID 16602215

IUPACN-[3-[(6-methoxy-3-pyridinyl)methylamino]-3-oxopropyl]benzamide
SMILESCOc1ccc(CNC(=O)CCNC(=O)c2ccccc2)cn1
InChIInChI=1S/C17H19N3O3/c1-23-16-8-7-13(12-20-16)11-19-15(21)9-10-18-17(22)14-5-3-2-4-6-14/h2-8,12H,9-11H2,1H3,(H,18,22)(H,19,21)
InChIKeyBCFWWNSFCKWFGU-UHFFFAOYSA-N
MW313.36 g/mol
LogP1.53
Rot. Bonds7

About N-[3-[(6-methoxy-3-pyridinyl)methylamino]-3-oxopropyl]benzamide

N-[3-[(6-methoxy-3-pyridinyl)methylamino]-3-oxopropyl]benzamide (PubChem CID 16602215) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is N-[3-[(6-methoxy-3-pyridinyl)methylamino]-3-oxopropyl]benzamide.

Molecular Properties

Compound NameN-[3-[(6-methoxy-3-pyridinyl)methylamino]-3-oxopropyl]benzamide
PubChem CID16602215
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC NameN-[3-[(6-methoxy-3-pyridinyl)methylamino]-3-oxopropyl]benzamide
SMILESCOc1ccc(CNC(=O)CCNC(=O)c2ccccc2)cn1
InChIInChI=1S/C17H19N3O3/c1-23-16-8-7-13(12-20-16)11-19-15(21)9-10-18-17(22)14-5-3-2-4-6-14/h2-8,12H,9-11H2,1H3,(H,18,22)(H,19,21)
InChIKeyBCFWWNSFCKWFGU-UHFFFAOYSA-N
XLogP1.53
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-N,4-N-bis[(6-methoxy-3-pyridinyl)methyl]benzene-1,4-dicarboxamide
CID 24646071
N-[(6-methoxy-3-pyridinyl)methyl]-4-phenylbenzamide
CID 24589971
N-[3-[[4-(2-methoxyethoxy)phenyl]methylamino]-3-oxopropyl]benzamide
CID 55662715
N-[3-(benzylamino)-3-oxopropyl]-4-(methoxymethyl)benzamide
CID 60608621
N-[2-[(6-methoxy-3-pyridinyl)methylamino]-2-oxoethyl]naphthalene-2-carboxamide
CID 17420778
6-amino-N-[(6-methoxy-3-pyridinyl)methyl]hexanamide
CID 61275158
N-[(6-methoxy-3-pyridinyl)methyl]-3-(3-methyldiazirin-3-yl)propanamide
CID 172882152
2-(2-fluorophenoxy)-N-[(6-methoxy-3-pyridinyl)methyl]acetamide
CID 51306226
N-[(6-methoxy-3-pyridinyl)methyl]-3-(2-oxo-1-pyridinyl)propanamide
CID 86979608
4-(ethylamino)-N-[(6-methoxy-3-pyridinyl)methyl]benzamide
CID 62991496
4-(4-methoxyphenoxy)-N-[(6-methoxy-3-pyridinyl)methyl]butanamide
CID 18139589
3,5-dichloro-N-[(6-methoxy-3-pyridinyl)methyl]benzamide
CID 16602233

Frequently Asked Questions

What is the IUPAC name of N-[3-[(6-methoxy-3-pyridinyl)methylamino]-3-oxopropyl]benzamide?
The IUPAC name of N-[3-[(6-methoxy-3-pyridinyl)methylamino]-3-oxopropyl]benzamide (CID 16602215) is N-[3-[(6-methoxy-3-pyridinyl)methylamino]-3-oxopropyl]benzamide.
What is the SMILES notation for N-[3-[(6-methoxy-3-pyridinyl)methylamino]-3-oxopropyl]benzamide?
The canonical SMILES for N-[3-[(6-methoxy-3-pyridinyl)methylamino]-3-oxopropyl]benzamide is COc1ccc(CNC(=O)CCNC(=O)c2ccccc2)cn1.
What is the InChIKey of N-[3-[(6-methoxy-3-pyridinyl)methylamino]-3-oxopropyl]benzamide?
The InChIKey is BCFWWNSFCKWFGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-23-16-8-7-13(12-20-16)11-19-15(21)9-10-18-17(22)14-5-3-2-4-6-14/h2-8,12H,9-11H2,1H3,(H,18,22)(H,19,21).
What are the key properties of N-[3-[(6-methoxy-3-pyridinyl)methylamino]-3-oxopropyl]benzamide?
N-[3-[(6-methoxy-3-pyridinyl)methylamino]-3-oxopropyl]benzamide has a molecular weight of 313.36 g/mol, XLogP of 1.53, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(6-methoxy-3-pyridinyl)methylamino]-3-oxopropyl]benzamide is sourced from PubChem (CID 16602215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).