N-[(5-methoxy-3-pyridinyl)methyl]-3-pyridin-4-ylpropanamide

C15H17N3O2 — CID 126829062

IUPACN-[(5-methoxy-3-pyridinyl)methyl]-3-pyridin-4-ylpropanamide
SMILESCOc1cncc(CNC(=O)CCc2ccncc2)c1
InChIInChI=1S/C15H17N3O2/c1-20-14-8-13(9-17-11-14)10-18-15(19)3-2-12-4-6-16-7-5-12/h4-9,11H,2-3,10H2,1H3,(H,18,19)
InChIKeyXOVKUOUKHNTPCX-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.73
Rot. Bonds6

About N-[(5-methoxy-3-pyridinyl)methyl]-3-pyridin-4-ylpropanamide

N-[(5-methoxy-3-pyridinyl)methyl]-3-pyridin-4-ylpropanamide (PubChem CID 126829062) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is N-[(5-methoxy-3-pyridinyl)methyl]-3-pyridin-4-ylpropanamide.

Molecular Properties

Compound NameN-[(5-methoxy-3-pyridinyl)methyl]-3-pyridin-4-ylpropanamide
PubChem CID126829062
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC NameN-[(5-methoxy-3-pyridinyl)methyl]-3-pyridin-4-ylpropanamide
SMILESCOc1cncc(CNC(=O)CCc2ccncc2)c1
InChIInChI=1S/C15H17N3O2/c1-20-14-8-13(9-17-11-14)10-18-15(19)3-2-12-4-6-16-7-5-12/h4-9,11H,2-3,10H2,1H3,(H,18,19)
InChIKeyXOVKUOUKHNTPCX-UHFFFAOYSA-N
XLogP1.73
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 898309
3-(4-methoxyphenyl)-N-[(2-methoxy-4-pyridinyl)methyl]propanamide
CID 18167253
N-[(5-methoxy-3-pyridinyl)methyl]-2-methylpropanamide;molecular hydrogen
CID 171523322
N-[(2-methoxyphenyl)methyl]-3-pyridin-4-ylpropanamide
CID 110468458
3-(4-methoxyphenoxy)-N-(pyridin-4-ylmethyl)propanamide
CID 110678375
4-(5-methoxy-3-pyridinyl)butan-2-one
CID 69229885
N-(3-methoxyphenyl)-3-pyridin-4-ylpropanamide
CID 110468427
3-(4-aminophenyl)-N-(pyridin-4-ylmethyl)propanamide
CID 28712872
N-[(4-fluoro-3-methylphenyl)methyl]-3-pyridin-4-ylpropanamide
CID 78878440
N-[(4-hydroxyphenyl)methyl]-3-(4-methoxyphenyl)propanamide
CID 115577590
3-(4-fluorophenyl)-N-[(3-methoxyphenyl)methyl]propanamide
CID 43030428
3-phenyl-N-[(5-propan-2-yl-3-pyridinyl)methyl]propanamide
CID 138492197

Frequently Asked Questions

What is the IUPAC name of N-[(5-methoxy-3-pyridinyl)methyl]-3-pyridin-4-ylpropanamide?
The IUPAC name of N-[(5-methoxy-3-pyridinyl)methyl]-3-pyridin-4-ylpropanamide (CID 126829062) is N-[(5-methoxy-3-pyridinyl)methyl]-3-pyridin-4-ylpropanamide.
What is the SMILES notation for N-[(5-methoxy-3-pyridinyl)methyl]-3-pyridin-4-ylpropanamide?
The canonical SMILES for N-[(5-methoxy-3-pyridinyl)methyl]-3-pyridin-4-ylpropanamide is COc1cncc(CNC(=O)CCc2ccncc2)c1.
What is the InChIKey of N-[(5-methoxy-3-pyridinyl)methyl]-3-pyridin-4-ylpropanamide?
The InChIKey is XOVKUOUKHNTPCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-20-14-8-13(9-17-11-14)10-18-15(19)3-2-12-4-6-16-7-5-12/h4-9,11H,2-3,10H2,1H3,(H,18,19).
What are the key properties of N-[(5-methoxy-3-pyridinyl)methyl]-3-pyridin-4-ylpropanamide?
N-[(5-methoxy-3-pyridinyl)methyl]-3-pyridin-4-ylpropanamide has a molecular weight of 271.32 g/mol, XLogP of 1.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methoxy-3-pyridinyl)methyl]-3-pyridin-4-ylpropanamide is sourced from PubChem (CID 126829062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).