6-chloro-N-methylimidazo[1,2-a]pyridin-2-amine;4-(4-formylphenyl)-4-methylpentanenitrile

C21H23ClN4O — CID 143620219

IUPAC6-chloro-N-methylimidazo[1,2-a]pyridin-2-amine;4-(4-formylphenyl)-4-methylpentanenitrile
SMILESCC(C)(CCC#N)c1ccc(C=O)cc1.CNc1cn2cc(Cl)ccc2n1
InChIInChI=1S/C13H15NO.C8H8ClN3/c1-13(2,8-3-9-14)12-6-4-11(10-15)5-7-12;1-10-7-5-12-4-6(9)2-3-8(12)11-7/h4-7,10H,3,8H2,1-2H3;2-5,10H,1H3
InChIKeyYNFCARULKPDHTO-UHFFFAOYSA-N
MW382.90 g/mol
LogP5.11
Rot. Bonds5

About 6-chloro-N-methylimidazo[1,2-a]pyridin-2-amine;4-(4-formylphenyl)-4-methylpentanenitrile

6-chloro-N-methylimidazo[1,2-a]pyridin-2-amine;4-(4-formylphenyl)-4-methylpentanenitrile (PubChem CID 143620219) has the molecular formula C21H23ClN4O and a molecular weight of 382.90 g/mol. Its IUPAC name is 6-chloro-N-methylimidazo[1,2-a]pyridin-2-amine;4-(4-formylphenyl)-4-methylpentanenitrile.

Molecular Properties

Compound Name6-chloro-N-methylimidazo[1,2-a]pyridin-2-amine;4-(4-formylphenyl)-4-methylpentanenitrile
PubChem CID143620219
Molecular FormulaC21H23ClN4O
Molecular Weight382.90 g/mol
Exact Mass382.16
IUPAC Name6-chloro-N-methylimidazo[1,2-a]pyridin-2-amine;4-(4-formylphenyl)-4-methylpentanenitrile
SMILESCC(C)(CCC#N)c1ccc(C=O)cc1.CNc1cn2cc(Cl)ccc2n1
InChIInChI=1S/C13H15NO.C8H8ClN3/c1-13(2,8-3-9-14)12-6-4-11(10-15)5-7-12;1-10-7-5-12-4-6(9)2-3-8(12)11-7/h4-7,10H,3,8H2,1-2H3;2-5,10H,1H3
InChIKeyYNFCARULKPDHTO-UHFFFAOYSA-N
XLogP5.11
TPSA70.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.90
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-methylimidazo[1,2-a]pyridin-2-amine;4-(4-formylphenyl)-4-methylpentanenitrile?
The IUPAC name of 6-chloro-N-methylimidazo[1,2-a]pyridin-2-amine;4-(4-formylphenyl)-4-methylpentanenitrile (CID 143620219) is 6-chloro-N-methylimidazo[1,2-a]pyridin-2-amine;4-(4-formylphenyl)-4-methylpentanenitrile.
What is the SMILES notation for 6-chloro-N-methylimidazo[1,2-a]pyridin-2-amine;4-(4-formylphenyl)-4-methylpentanenitrile?
The canonical SMILES for 6-chloro-N-methylimidazo[1,2-a]pyridin-2-amine;4-(4-formylphenyl)-4-methylpentanenitrile is CC(C)(CCC#N)c1ccc(C=O)cc1.CNc1cn2cc(Cl)ccc2n1.
What is the InChIKey of 6-chloro-N-methylimidazo[1,2-a]pyridin-2-amine;4-(4-formylphenyl)-4-methylpentanenitrile?
The InChIKey is YNFCARULKPDHTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO.C8H8ClN3/c1-13(2,8-3-9-14)12-6-4-11(10-15)5-7-12;1-10-7-5-12-4-6(9)2-3-8(12)11-7/h4-7,10H,3,8H2,1-2H3;2-5,10H,1H3.
What are the key properties of 6-chloro-N-methylimidazo[1,2-a]pyridin-2-amine;4-(4-formylphenyl)-4-methylpentanenitrile?
6-chloro-N-methylimidazo[1,2-a]pyridin-2-amine;4-(4-formylphenyl)-4-methylpentanenitrile has a molecular weight of 382.90 g/mol, XLogP of 5.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-methylimidazo[1,2-a]pyridin-2-amine;4-(4-formylphenyl)-4-methylpentanenitrile is sourced from PubChem (CID 143620219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).