N-[2-(dimethylamino)ethyl]-N-[(3-methoxyphenyl)methyl]-7-pyridin-4-ylimidazo[1,2-a]pyridine-3-carboxamide

C25H27N5O2 — CID 67108105

IUPACN-[2-(dimethylamino)ethyl]-N-[(3-methoxyphenyl)methyl]-7-pyridin-4-ylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCOc1cccc(CN(CCN(C)C)C(=O)c2cnc3cc(-c4ccncc4)ccn23)c1
InChIInChI=1S/C25H27N5O2/c1-28(2)13-14-29(18-19-5-4-6-22(15-19)32-3)25(31)23-17-27-24-16-21(9-12-30(23)24)20-7-10-26-11-8-20/h4-12,15-17H,13-14,18H2,1-3H3
InChIKeyJVLLVJBUUWROHG-UHFFFAOYSA-N
MW429.52 g/mol
LogP3.61
Rot. Bonds8

About N-[2-(dimethylamino)ethyl]-N-[(3-methoxyphenyl)methyl]-7-pyridin-4-ylimidazo[1,2-a]pyridine-3-carboxamide

N-[2-(dimethylamino)ethyl]-N-[(3-methoxyphenyl)methyl]-7-pyridin-4-ylimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 67108105) has the molecular formula C25H27N5O2 and a molecular weight of 429.52 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-N-[(3-methoxyphenyl)methyl]-7-pyridin-4-ylimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-N-[(3-methoxyphenyl)methyl]-7-pyridin-4-ylimidazo[1,2-a]pyridine-3-carboxamide
PubChem CID67108105
Molecular FormulaC25H27N5O2
Molecular Weight429.52 g/mol
Exact Mass429.22
IUPAC NameN-[2-(dimethylamino)ethyl]-N-[(3-methoxyphenyl)methyl]-7-pyridin-4-ylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCOc1cccc(CN(CCN(C)C)C(=O)c2cnc3cc(-c4ccncc4)ccn23)c1
InChIInChI=1S/C25H27N5O2/c1-28(2)13-14-29(18-19-5-4-6-22(15-19)32-3)25(31)23-17-27-24-16-21(9-12-30(23)24)20-7-10-26-11-8-20/h4-12,15-17H,13-14,18H2,1-3H3
InChIKeyJVLLVJBUUWROHG-UHFFFAOYSA-N
XLogP3.61
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-N-[(3-methoxyphenyl)methyl]-7-pyridin-4-ylimidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-N-[(3-methoxyphenyl)methyl]-7-pyridin-4-ylimidazo[1,2-a]pyridine-3-carboxamide (CID 67108105) is N-[2-(dimethylamino)ethyl]-N-[(3-methoxyphenyl)methyl]-7-pyridin-4-ylimidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-N-[(3-methoxyphenyl)methyl]-7-pyridin-4-ylimidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-N-[(3-methoxyphenyl)methyl]-7-pyridin-4-ylimidazo[1,2-a]pyridine-3-carboxamide is COc1cccc(CN(CCN(C)C)C(=O)c2cnc3cc(-c4ccncc4)ccn23)c1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-N-[(3-methoxyphenyl)methyl]-7-pyridin-4-ylimidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is JVLLVJBUUWROHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O2/c1-28(2)13-14-29(18-19-5-4-6-22(15-19)32-3)25(31)23-17-27-24-16-21(9-12-30(23)24)20-7-10-26-11-8-20/h4-12,15-17H,13-14,18H2,1-3H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-N-[(3-methoxyphenyl)methyl]-7-pyridin-4-ylimidazo[1,2-a]pyridine-3-carboxamide?
N-[2-(dimethylamino)ethyl]-N-[(3-methoxyphenyl)methyl]-7-pyridin-4-ylimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 429.52 g/mol, XLogP of 3.61, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-N-[(3-methoxyphenyl)methyl]-7-pyridin-4-ylimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 67108105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).