N,N-dihexyl-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide

C27H37N3O — CID 10598186

IUPACN,N-dihexyl-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide
SMILESCCCCCCN(CCCCCC)C(=O)Cc1c(-c2ccccc2)nc2ccccn12
InChIInChI=1S/C27H37N3O/c1-3-5-7-13-19-29(20-14-8-6-4-2)26(31)22-24-27(23-16-10-9-11-17-23)28-25-18-12-15-21-30(24)25/h9-12,15-18,21H,3-8,13-14,19-20,22H2,1-2H3
InChIKeyCNTRGMQYQCVCNP-UHFFFAOYSA-N
MW419.61 g/mol
LogP6.53
Rot. Bonds13

About N,N-dihexyl-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide

N,N-dihexyl-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide (PubChem CID 10598186) has the molecular formula C27H37N3O and a molecular weight of 419.61 g/mol. Its IUPAC name is N,N-dihexyl-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide.

Molecular Properties

Compound NameN,N-dihexyl-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide
PubChem CID10598186
Molecular FormulaC27H37N3O
Molecular Weight419.61 g/mol
Exact Mass419.29
IUPAC NameN,N-dihexyl-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide
SMILESCCCCCCN(CCCCCC)C(=O)Cc1c(-c2ccccc2)nc2ccccn12
InChIInChI=1S/C27H37N3O/c1-3-5-7-13-19-29(20-14-8-6-4-2)26(31)22-24-27(23-16-10-9-11-17-23)28-25-18-12-15-21-30(24)25/h9-12,15-18,21H,3-8,13-14,19-20,22H2,1-2H3
InChIKeyCNTRGMQYQCVCNP-UHFFFAOYSA-N
XLogP6.53
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.61
LogP ≤ 56.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-dihexyl-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide?
The IUPAC name of N,N-dihexyl-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide (CID 10598186) is N,N-dihexyl-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide.
What is the SMILES notation for N,N-dihexyl-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide?
The canonical SMILES for N,N-dihexyl-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide is CCCCCCN(CCCCCC)C(=O)Cc1c(-c2ccccc2)nc2ccccn12.
What is the InChIKey of N,N-dihexyl-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide?
The InChIKey is CNTRGMQYQCVCNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37N3O/c1-3-5-7-13-19-29(20-14-8-6-4-2)26(31)22-24-27(23-16-10-9-11-17-23)28-25-18-12-15-21-30(24)25/h9-12,15-18,21H,3-8,13-14,19-20,22H2,1-2H3.
What are the key properties of N,N-dihexyl-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide?
N,N-dihexyl-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide has a molecular weight of 419.61 g/mol, XLogP of 6.53, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dihexyl-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide is sourced from PubChem (CID 10598186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).