N-butan-2-yl-2-[(3-chloro-4-fluorobenzoyl)amino]-6-methylimidazo[1,2-a]pyridine-3-carboxamide

C20H20ClFN4O2 — CID 155557621

IUPACN-butan-2-yl-2-[(3-chloro-4-fluorobenzoyl)amino]-6-methylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCCC(C)NC(=O)c1c(NC(=O)c2ccc(F)c(Cl)c2)nc2ccc(C)cn12
InChIInChI=1S/C20H20ClFN4O2/c1-4-12(3)23-20(28)17-18(24-16-8-5-11(2)10-26(16)17)25-19(27)13-6-7-15(22)14(21)9-13/h5-10,12H,4H2,1-3H3,(H,23,28)(H,25,27)
InChIKeyNMFNKCDXPULVGM-UHFFFAOYSA-N
MW402.86 g/mol
LogP4.22
Rot. Bonds5

About N-butan-2-yl-2-[(3-chloro-4-fluorobenzoyl)amino]-6-methylimidazo[1,2-a]pyridine-3-carboxamide

N-butan-2-yl-2-[(3-chloro-4-fluorobenzoyl)amino]-6-methylimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 155557621) has the molecular formula C20H20ClFN4O2 and a molecular weight of 402.86 g/mol. Its IUPAC name is N-butan-2-yl-2-[(3-chloro-4-fluorobenzoyl)amino]-6-methylimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[(3-chloro-4-fluorobenzoyl)amino]-6-methylimidazo[1,2-a]pyridine-3-carboxamide
PubChem CID155557621
Molecular FormulaC20H20ClFN4O2
Molecular Weight402.86 g/mol
Exact Mass402.13
IUPAC NameN-butan-2-yl-2-[(3-chloro-4-fluorobenzoyl)amino]-6-methylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCCC(C)NC(=O)c1c(NC(=O)c2ccc(F)c(Cl)c2)nc2ccc(C)cn12
InChIInChI=1S/C20H20ClFN4O2/c1-4-12(3)23-20(28)17-18(24-16-8-5-11(2)10-26(16)17)25-19(27)13-6-7-15(22)14(21)9-13/h5-10,12H,4H2,1-3H3,(H,23,28)(H,25,27)
InChIKeyNMFNKCDXPULVGM-UHFFFAOYSA-N
XLogP4.22
TPSA75.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.86
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[(3-chloro-4-fluorobenzoyl)amino]-6-methylimidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-butan-2-yl-2-[(3-chloro-4-fluorobenzoyl)amino]-6-methylimidazo[1,2-a]pyridine-3-carboxamide (CID 155557621) is N-butan-2-yl-2-[(3-chloro-4-fluorobenzoyl)amino]-6-methylimidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-butan-2-yl-2-[(3-chloro-4-fluorobenzoyl)amino]-6-methylimidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-butan-2-yl-2-[(3-chloro-4-fluorobenzoyl)amino]-6-methylimidazo[1,2-a]pyridine-3-carboxamide is CCC(C)NC(=O)c1c(NC(=O)c2ccc(F)c(Cl)c2)nc2ccc(C)cn12.
What is the InChIKey of N-butan-2-yl-2-[(3-chloro-4-fluorobenzoyl)amino]-6-methylimidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is NMFNKCDXPULVGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClFN4O2/c1-4-12(3)23-20(28)17-18(24-16-8-5-11(2)10-26(16)17)25-19(27)13-6-7-15(22)14(21)9-13/h5-10,12H,4H2,1-3H3,(H,23,28)(H,25,27).
What are the key properties of N-butan-2-yl-2-[(3-chloro-4-fluorobenzoyl)amino]-6-methylimidazo[1,2-a]pyridine-3-carboxamide?
N-butan-2-yl-2-[(3-chloro-4-fluorobenzoyl)amino]-6-methylimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 402.86 g/mol, XLogP of 4.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-[(3-chloro-4-fluorobenzoyl)amino]-6-methylimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 155557621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).