N-[[5-(6-methoxypyridine-3-carbonyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]propanamide

C18H23N5O3 — CID 53191021

IUPACN-[[5-(6-methoxypyridine-3-carbonyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]propanamide
SMILESCCC(=O)NCc1nc2c(n1C)CN(C(=O)c1ccc(OC)nc1)CC2
InChIInChI=1S/C18H23N5O3/c1-4-16(24)19-10-15-21-13-7-8-23(11-14(13)22(15)2)18(25)12-5-6-17(26-3)20-9-12/h5-6,9H,4,7-8,10-11H2,1-3H3,(H,19,24)
InChIKeyHVPZUEXUILHEDM-UHFFFAOYSA-N
MW357.41 g/mol
LogP1.05
Rot. Bonds5

About N-[[5-(6-methoxypyridine-3-carbonyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]propanamide

N-[[5-(6-methoxypyridine-3-carbonyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]propanamide (PubChem CID 53191021) has the molecular formula C18H23N5O3 and a molecular weight of 357.41 g/mol. Its IUPAC name is N-[[5-(6-methoxypyridine-3-carbonyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]propanamide.

Molecular Properties

Compound NameN-[[5-(6-methoxypyridine-3-carbonyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]propanamide
PubChem CID53191021
Molecular FormulaC18H23N5O3
Molecular Weight357.41 g/mol
Exact Mass357.18
IUPAC NameN-[[5-(6-methoxypyridine-3-carbonyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]propanamide
SMILESCCC(=O)NCc1nc2c(n1C)CN(C(=O)c1ccc(OC)nc1)CC2
InChIInChI=1S/C18H23N5O3/c1-4-16(24)19-10-15-21-13-7-8-23(11-14(13)22(15)2)18(25)12-5-6-17(26-3)20-9-12/h5-6,9H,4,7-8,10-11H2,1-3H3,(H,19,24)
InChIKeyHVPZUEXUILHEDM-UHFFFAOYSA-N
XLogP1.05
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(6-methoxypyridine-3-carbonyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]propanamide?
The IUPAC name of N-[[5-(6-methoxypyridine-3-carbonyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]propanamide (CID 53191021) is N-[[5-(6-methoxypyridine-3-carbonyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]propanamide.
What is the SMILES notation for N-[[5-(6-methoxypyridine-3-carbonyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]propanamide?
The canonical SMILES for N-[[5-(6-methoxypyridine-3-carbonyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]propanamide is CCC(=O)NCc1nc2c(n1C)CN(C(=O)c1ccc(OC)nc1)CC2.
What is the InChIKey of N-[[5-(6-methoxypyridine-3-carbonyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]propanamide?
The InChIKey is HVPZUEXUILHEDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O3/c1-4-16(24)19-10-15-21-13-7-8-23(11-14(13)22(15)2)18(25)12-5-6-17(26-3)20-9-12/h5-6,9H,4,7-8,10-11H2,1-3H3,(H,19,24).
What are the key properties of N-[[5-(6-methoxypyridine-3-carbonyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]propanamide?
N-[[5-(6-methoxypyridine-3-carbonyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]propanamide has a molecular weight of 357.41 g/mol, XLogP of 1.05, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(6-methoxypyridine-3-carbonyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]propanamide is sourced from PubChem (CID 53191021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).