3-N-(3-chloro-4-methoxyphenyl)-1-N-prop-2-enylimidazo[1,5-a]pyridine-1,3-dicarboxamide

C19H17ClN4O3 — CID 109066906

IUPAC3-N-(3-chloro-4-methoxyphenyl)-1-N-prop-2-enylimidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESC=CCNC(=O)c1nc(C(=O)Nc2ccc(OC)c(Cl)c2)n2ccccc12
InChIInChI=1S/C19H17ClN4O3/c1-3-9-21-18(25)16-14-6-4-5-10-24(14)17(23-16)19(26)22-12-7-8-15(27-2)13(20)11-12/h3-8,10-11H,1,9H2,2H3,(H,21,25)(H,22,26)
InChIKeyLJZPPXYSHYPQGG-UHFFFAOYSA-N
MW384.82 g/mol
LogP3.16
Rot. Bonds6

About 3-N-(3-chloro-4-methoxyphenyl)-1-N-prop-2-enylimidazo[1,5-a]pyridine-1,3-dicarboxamide

3-N-(3-chloro-4-methoxyphenyl)-1-N-prop-2-enylimidazo[1,5-a]pyridine-1,3-dicarboxamide (PubChem CID 109066906) has the molecular formula C19H17ClN4O3 and a molecular weight of 384.82 g/mol. Its IUPAC name is 3-N-(3-chloro-4-methoxyphenyl)-1-N-prop-2-enylimidazo[1,5-a]pyridine-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-(3-chloro-4-methoxyphenyl)-1-N-prop-2-enylimidazo[1,5-a]pyridine-1,3-dicarboxamide
PubChem CID109066906
Molecular FormulaC19H17ClN4O3
Molecular Weight384.82 g/mol
Exact Mass384.10
IUPAC Name3-N-(3-chloro-4-methoxyphenyl)-1-N-prop-2-enylimidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESC=CCNC(=O)c1nc(C(=O)Nc2ccc(OC)c(Cl)c2)n2ccccc12
InChIInChI=1S/C19H17ClN4O3/c1-3-9-21-18(25)16-14-6-4-5-10-24(14)17(23-16)19(26)22-12-7-8-15(27-2)13(20)11-12/h3-8,10-11H,1,9H2,2H3,(H,21,25)(H,22,26)
InChIKeyLJZPPXYSHYPQGG-UHFFFAOYSA-N
XLogP3.16
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.82
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

methyl 4-[[1-(prop-2-enylcarbamoyl)imidazo[1,5-a]pyridine-3-carbonyl]amino]benzoate
CID 109066929
1-N-(3-chloro-4-methoxyphenyl)-3-N-propan-2-ylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109066429
1-N-(4-methylphenyl)-3-N-prop-2-enylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067033
3-N-(2-chlorophenyl)-1-N-prop-2-enylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109066897
1-N-(3-methoxypropyl)-3-N-prop-2-enylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109066968
3-N-[2-(4-methoxyphenyl)ethyl]-1-N-prop-2-enylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109066843
3-N-(4-methoxyphenyl)-1-N-propylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109065963
3-N-(4-methoxyphenyl)-1-N-(2-methylpropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067477
3-N-(4-chlorophenyl)-1-N-[2-(dimethylamino)ethyl]imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109069632
3-N-[(4-methylphenyl)methyl]-1-N-prop-2-enylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109066823
1-N-[2-(dimethylamino)ethyl]-3-N-(3-methoxyphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109069638
3-N-(4-ethylphenyl)-1-N-(2-methoxyethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109068925

Frequently Asked Questions

What is the IUPAC name of 3-N-(3-chloro-4-methoxyphenyl)-1-N-prop-2-enylimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The IUPAC name of 3-N-(3-chloro-4-methoxyphenyl)-1-N-prop-2-enylimidazo[1,5-a]pyridine-1,3-dicarboxamide (CID 109066906) is 3-N-(3-chloro-4-methoxyphenyl)-1-N-prop-2-enylimidazo[1,5-a]pyridine-1,3-dicarboxamide.
What is the SMILES notation for 3-N-(3-chloro-4-methoxyphenyl)-1-N-prop-2-enylimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The canonical SMILES for 3-N-(3-chloro-4-methoxyphenyl)-1-N-prop-2-enylimidazo[1,5-a]pyridine-1,3-dicarboxamide is C=CCNC(=O)c1nc(C(=O)Nc2ccc(OC)c(Cl)c2)n2ccccc12.
What is the InChIKey of 3-N-(3-chloro-4-methoxyphenyl)-1-N-prop-2-enylimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The InChIKey is LJZPPXYSHYPQGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O3/c1-3-9-21-18(25)16-14-6-4-5-10-24(14)17(23-16)19(26)22-12-7-8-15(27-2)13(20)11-12/h3-8,10-11H,1,9H2,2H3,(H,21,25)(H,22,26).
What are the key properties of 3-N-(3-chloro-4-methoxyphenyl)-1-N-prop-2-enylimidazo[1,5-a]pyridine-1,3-dicarboxamide?
3-N-(3-chloro-4-methoxyphenyl)-1-N-prop-2-enylimidazo[1,5-a]pyridine-1,3-dicarboxamide has a molecular weight of 384.82 g/mol, XLogP of 3.16, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(3-chloro-4-methoxyphenyl)-1-N-prop-2-enylimidazo[1,5-a]pyridine-1,3-dicarboxamide is sourced from PubChem (CID 109066906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).