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

C20H26N4O3 — CID 53191009

IUPACN-[[5-[2-(3-methoxyphenyl)acetyl]-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]propanamide
SMILESCCC(=O)NCc1nc2c(n1C)CN(C(=O)Cc1cccc(OC)c1)CC2
InChIInChI=1S/C20H26N4O3/c1-4-19(25)21-12-18-22-16-8-9-24(13-17(16)23(18)2)20(26)11-14-6-5-7-15(10-14)27-3/h5-7,10H,4,8-9,11-13H2,1-3H3,(H,21,25)
InChIKeyFBQDGCRRMSCBOM-UHFFFAOYSA-N
MW370.45 g/mol
LogP1.58
Rot. Bonds6

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

N-[[5-[2-(3-methoxyphenyl)acetyl]-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]propanamide (PubChem CID 53191009) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is N-[[5-[2-(3-methoxyphenyl)acetyl]-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]propanamide.

Molecular Properties

Compound NameN-[[5-[2-(3-methoxyphenyl)acetyl]-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]propanamide
PubChem CID53191009
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC NameN-[[5-[2-(3-methoxyphenyl)acetyl]-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]propanamide
SMILESCCC(=O)NCc1nc2c(n1C)CN(C(=O)Cc1cccc(OC)c1)CC2
InChIInChI=1S/C20H26N4O3/c1-4-19(25)21-12-18-22-16-8-9-24(13-17(16)23(18)2)20(26)11-14-6-5-7-15(10-14)27-3/h5-7,10H,4,8-9,11-13H2,1-3H3,(H,21,25)
InChIKeyFBQDGCRRMSCBOM-UHFFFAOYSA-N
XLogP1.58
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[5-[2-(3-methoxyphenyl)acetyl]-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]propanamide?
The IUPAC name of N-[[5-[2-(3-methoxyphenyl)acetyl]-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]propanamide (CID 53191009) is N-[[5-[2-(3-methoxyphenyl)acetyl]-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]propanamide.
What is the SMILES notation for N-[[5-[2-(3-methoxyphenyl)acetyl]-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]propanamide?
The canonical SMILES for N-[[5-[2-(3-methoxyphenyl)acetyl]-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]propanamide is CCC(=O)NCc1nc2c(n1C)CN(C(=O)Cc1cccc(OC)c1)CC2.
What is the InChIKey of N-[[5-[2-(3-methoxyphenyl)acetyl]-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]propanamide?
The InChIKey is FBQDGCRRMSCBOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-4-19(25)21-12-18-22-16-8-9-24(13-17(16)23(18)2)20(26)11-14-6-5-7-15(10-14)27-3/h5-7,10H,4,8-9,11-13H2,1-3H3,(H,21,25).
What are the key properties of N-[[5-[2-(3-methoxyphenyl)acetyl]-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]propanamide?
N-[[5-[2-(3-methoxyphenyl)acetyl]-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]propanamide has a molecular weight of 370.45 g/mol, XLogP of 1.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[2-(3-methoxyphenyl)acetyl]-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]propanamide is sourced from PubChem (CID 53191009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).