N-[6-cyclopropyl-2-[[(2-formamido-4-pyridinyl)amino]methyl]imidazo[1,2-a]pyridin-8-yl]-N-methylacetamide

C20H22N6O2 — CID 165131837

IUPACN-[6-cyclopropyl-2-[[(2-formamido-4-pyridinyl)amino]methyl]imidazo[1,2-a]pyridin-8-yl]-N-methylacetamide
SMILESCC(=O)N(C)c1cc(C2CC2)cn2cc(CNc3ccnc(NC=O)c3)nc12
InChIInChI=1S/C20H22N6O2/c1-13(28)25(2)18-7-15(14-3-4-14)10-26-11-17(24-20(18)26)9-22-16-5-6-21-19(8-16)23-12-27/h5-8,10-12,14H,3-4,9H2,1-2H3,(H2,21,22,23,27)
InChIKeyKHCHJBOHDZHVER-UHFFFAOYSA-N
MW378.44 g/mol
LogP2.77
Rot. Bonds7

About N-[6-cyclopropyl-2-[[(2-formamido-4-pyridinyl)amino]methyl]imidazo[1,2-a]pyridin-8-yl]-N-methylacetamide

N-[6-cyclopropyl-2-[[(2-formamido-4-pyridinyl)amino]methyl]imidazo[1,2-a]pyridin-8-yl]-N-methylacetamide (PubChem CID 165131837) has the molecular formula C20H22N6O2 and a molecular weight of 378.44 g/mol. Its IUPAC name is N-[6-cyclopropyl-2-[[(2-formamido-4-pyridinyl)amino]methyl]imidazo[1,2-a]pyridin-8-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-[6-cyclopropyl-2-[[(2-formamido-4-pyridinyl)amino]methyl]imidazo[1,2-a]pyridin-8-yl]-N-methylacetamide
PubChem CID165131837
Molecular FormulaC20H22N6O2
Molecular Weight378.44 g/mol
Exact Mass378.18
IUPAC NameN-[6-cyclopropyl-2-[[(2-formamido-4-pyridinyl)amino]methyl]imidazo[1,2-a]pyridin-8-yl]-N-methylacetamide
SMILESCC(=O)N(C)c1cc(C2CC2)cn2cc(CNc3ccnc(NC=O)c3)nc12
InChIInChI=1S/C20H22N6O2/c1-13(28)25(2)18-7-15(14-3-4-14)10-26-11-17(24-20(18)26)9-22-16-5-6-21-19(8-16)23-12-27/h5-8,10-12,14H,3-4,9H2,1-2H3,(H2,21,22,23,27)
InChIKeyKHCHJBOHDZHVER-UHFFFAOYSA-N
XLogP2.77
TPSA91.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[6-cyclopropyl-2-[[(2-formamido-4-pyridinyl)amino]methyl]imidazo[1,2-a]pyridin-8-yl]-N-methylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[6-cyclopropyl-2-[[(2-formamido-4-pyridinyl)amino]methyl]imidazo[1,2-a]pyridin-8-yl]-N-methylacetamide?
The IUPAC name of N-[6-cyclopropyl-2-[[(2-formamido-4-pyridinyl)amino]methyl]imidazo[1,2-a]pyridin-8-yl]-N-methylacetamide (CID 165131837) is N-[6-cyclopropyl-2-[[(2-formamido-4-pyridinyl)amino]methyl]imidazo[1,2-a]pyridin-8-yl]-N-methylacetamide.
What is the SMILES notation for N-[6-cyclopropyl-2-[[(2-formamido-4-pyridinyl)amino]methyl]imidazo[1,2-a]pyridin-8-yl]-N-methylacetamide?
The canonical SMILES for N-[6-cyclopropyl-2-[[(2-formamido-4-pyridinyl)amino]methyl]imidazo[1,2-a]pyridin-8-yl]-N-methylacetamide is CC(=O)N(C)c1cc(C2CC2)cn2cc(CNc3ccnc(NC=O)c3)nc12.
What is the InChIKey of N-[6-cyclopropyl-2-[[(2-formamido-4-pyridinyl)amino]methyl]imidazo[1,2-a]pyridin-8-yl]-N-methylacetamide?
The InChIKey is KHCHJBOHDZHVER-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O2/c1-13(28)25(2)18-7-15(14-3-4-14)10-26-11-17(24-20(18)26)9-22-16-5-6-21-19(8-16)23-12-27/h5-8,10-12,14H,3-4,9H2,1-2H3,(H2,21,22,23,27).
What are the key properties of N-[6-cyclopropyl-2-[[(2-formamido-4-pyridinyl)amino]methyl]imidazo[1,2-a]pyridin-8-yl]-N-methylacetamide?
N-[6-cyclopropyl-2-[[(2-formamido-4-pyridinyl)amino]methyl]imidazo[1,2-a]pyridin-8-yl]-N-methylacetamide has a molecular weight of 378.44 g/mol, XLogP of 2.77, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-cyclopropyl-2-[[(2-formamido-4-pyridinyl)amino]methyl]imidazo[1,2-a]pyridin-8-yl]-N-methylacetamide is sourced from PubChem (CID 165131837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).