N-[(2-methyl-4-pyridinyl)methyl]-3-pyridin-3-ylpropanamide

C15H17N3O — CID 131936779

IUPACN-[(2-methyl-4-pyridinyl)methyl]-3-pyridin-3-ylpropanamide
SMILESCc1cc(CNC(=O)CCc2cccnc2)ccn1
InChIInChI=1S/C15H17N3O/c1-12-9-14(6-8-17-12)11-18-15(19)5-4-13-3-2-7-16-10-13/h2-3,6-10H,4-5,11H2,1H3,(H,18,19)
InChIKeyLLMYSSNBFNVBDB-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.03
Rot. Bonds5

About N-[(2-methyl-4-pyridinyl)methyl]-3-pyridin-3-ylpropanamide

N-[(2-methyl-4-pyridinyl)methyl]-3-pyridin-3-ylpropanamide (PubChem CID 131936779) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is N-[(2-methyl-4-pyridinyl)methyl]-3-pyridin-3-ylpropanamide.

Molecular Properties

Compound NameN-[(2-methyl-4-pyridinyl)methyl]-3-pyridin-3-ylpropanamide
PubChem CID131936779
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC NameN-[(2-methyl-4-pyridinyl)methyl]-3-pyridin-3-ylpropanamide
SMILESCc1cc(CNC(=O)CCc2cccnc2)ccn1
InChIInChI=1S/C15H17N3O/c1-12-9-14(6-8-17-12)11-18-15(19)5-4-13-3-2-7-16-10-13/h2-3,6-10H,4-5,11H2,1H3,(H,18,19)
InChIKeyLLMYSSNBFNVBDB-UHFFFAOYSA-N
XLogP2.03
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-3-pyridin-3-ylpropanamide
CID 9269124
N-[[4-(dimethylamino)phenyl]methyl]-3-pyridin-3-ylpropanamide
CID 27888266
3-(3-bromophenyl)-N-(pyridin-3-ylmethyl)propanamide
CID 127122248
3-(3,4-diethoxyphenyl)-N-(pyridin-3-ylmethyl)propanamide
CID 38019578
(2-methyl-4-pyridinyl)methylcarbamic acid
CID 89157251
N-[(6-methyl-3-pyridinyl)methyl]-3-phenylpropanamide
CID 47038622
3-(3,4-dimethylphenyl)-N-(3-pyridin-3-ylpropyl)propanamide
CID 91761122
N-[[2-(2,6-dimethylphenoxy)-3-pyridinyl]methyl]-3-pyridin-3-ylpropanamide
CID 25288420
N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-3-pyridin-3-ylpropanamide
CID 48735080
N-(2-ethylbutyl)-3-pyridin-3-ylpropanamide
CID 115612776
N-[(2-methoxy-4-pyridinyl)methyl]-3-phenylpropanamide
CID 18167302
(111C)methyl 3-pyridin-3-ylpropanoate
CID 11816043

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-4-pyridinyl)methyl]-3-pyridin-3-ylpropanamide?
The IUPAC name of N-[(2-methyl-4-pyridinyl)methyl]-3-pyridin-3-ylpropanamide (CID 131936779) is N-[(2-methyl-4-pyridinyl)methyl]-3-pyridin-3-ylpropanamide.
What is the SMILES notation for N-[(2-methyl-4-pyridinyl)methyl]-3-pyridin-3-ylpropanamide?
The canonical SMILES for N-[(2-methyl-4-pyridinyl)methyl]-3-pyridin-3-ylpropanamide is Cc1cc(CNC(=O)CCc2cccnc2)ccn1.
What is the InChIKey of N-[(2-methyl-4-pyridinyl)methyl]-3-pyridin-3-ylpropanamide?
The InChIKey is LLMYSSNBFNVBDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-12-9-14(6-8-17-12)11-18-15(19)5-4-13-3-2-7-16-10-13/h2-3,6-10H,4-5,11H2,1H3,(H,18,19).
What are the key properties of N-[(2-methyl-4-pyridinyl)methyl]-3-pyridin-3-ylpropanamide?
N-[(2-methyl-4-pyridinyl)methyl]-3-pyridin-3-ylpropanamide has a molecular weight of 255.32 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-4-pyridinyl)methyl]-3-pyridin-3-ylpropanamide is sourced from PubChem (CID 131936779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).