N-methyl-3-(2-pyridin-4-yl-1H-imidazol-5-yl)propanamide

C12H14N4O — CID 59698732

IUPACN-methyl-3-(2-pyridin-4-yl-1H-imidazol-5-yl)propanamide
SMILESCNC(=O)CCc1cnc(-c2ccncc2)[nH]1
InChIInChI=1S/C12H14N4O/c1-13-11(17)3-2-10-8-15-12(16-10)9-4-6-14-7-5-9/h4-8H,2-3H2,1H3,(H,13,17)(H,15,16)
InChIKeyBCRKLAZHUYNHTP-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.15
Rot. Bonds4

About N-methyl-3-(2-pyridin-4-yl-1H-imidazol-5-yl)propanamide

N-methyl-3-(2-pyridin-4-yl-1H-imidazol-5-yl)propanamide (PubChem CID 59698732) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is N-methyl-3-(2-pyridin-4-yl-1H-imidazol-5-yl)propanamide.

Molecular Properties

Compound NameN-methyl-3-(2-pyridin-4-yl-1H-imidazol-5-yl)propanamide
PubChem CID59698732
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC NameN-methyl-3-(2-pyridin-4-yl-1H-imidazol-5-yl)propanamide
SMILESCNC(=O)CCc1cnc(-c2ccncc2)[nH]1
InChIInChI=1S/C12H14N4O/c1-13-11(17)3-2-10-8-15-12(16-10)9-4-6-14-7-5-9/h4-8H,2-3H2,1H3,(H,13,17)(H,15,16)
InChIKeyBCRKLAZHUYNHTP-UHFFFAOYSA-N
XLogP1.15
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(2-pyridin-4-yl-1H-imidazol-5-yl)propanamide?
The IUPAC name of N-methyl-3-(2-pyridin-4-yl-1H-imidazol-5-yl)propanamide (CID 59698732) is N-methyl-3-(2-pyridin-4-yl-1H-imidazol-5-yl)propanamide.
What is the SMILES notation for N-methyl-3-(2-pyridin-4-yl-1H-imidazol-5-yl)propanamide?
The canonical SMILES for N-methyl-3-(2-pyridin-4-yl-1H-imidazol-5-yl)propanamide is CNC(=O)CCc1cnc(-c2ccncc2)[nH]1.
What is the InChIKey of N-methyl-3-(2-pyridin-4-yl-1H-imidazol-5-yl)propanamide?
The InChIKey is BCRKLAZHUYNHTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c1-13-11(17)3-2-10-8-15-12(16-10)9-4-6-14-7-5-9/h4-8H,2-3H2,1H3,(H,13,17)(H,15,16).
What are the key properties of N-methyl-3-(2-pyridin-4-yl-1H-imidazol-5-yl)propanamide?
N-methyl-3-(2-pyridin-4-yl-1H-imidazol-5-yl)propanamide has a molecular weight of 230.27 g/mol, XLogP of 1.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(2-pyridin-4-yl-1H-imidazol-5-yl)propanamide is sourced from PubChem (CID 59698732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).