N-[1-(4-fluoro-2-methylanilino)-1-oxopropan-2-yl]-2-methylimidazo[1,2-a]pyrimidine-3-carboxamide

C18H18FN5O2 — CID 56738715

IUPACN-[1-(4-fluoro-2-methylanilino)-1-oxopropan-2-yl]-2-methylimidazo[1,2-a]pyrimidine-3-carboxamide
SMILESCc1cc(F)ccc1NC(=O)C(C)NC(=O)c1c(C)nc2ncccn12
InChIInChI=1S/C18H18FN5O2/c1-10-9-13(19)5-6-14(10)23-16(25)12(3)21-17(26)15-11(2)22-18-20-7-4-8-24(15)18/h4-9,12H,1-3H3,(H,21,26)(H,23,25)
InChIKeyQNDLZPKIHMTFJV-UHFFFAOYSA-N
MW355.37 g/mol
LogP2.24
Rot. Bonds4

About N-[1-(4-fluoro-2-methylanilino)-1-oxopropan-2-yl]-2-methylimidazo[1,2-a]pyrimidine-3-carboxamide

N-[1-(4-fluoro-2-methylanilino)-1-oxopropan-2-yl]-2-methylimidazo[1,2-a]pyrimidine-3-carboxamide (PubChem CID 56738715) has the molecular formula C18H18FN5O2 and a molecular weight of 355.37 g/mol. Its IUPAC name is N-[1-(4-fluoro-2-methylanilino)-1-oxopropan-2-yl]-2-methylimidazo[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(4-fluoro-2-methylanilino)-1-oxopropan-2-yl]-2-methylimidazo[1,2-a]pyrimidine-3-carboxamide
PubChem CID56738715
Molecular FormulaC18H18FN5O2
Molecular Weight355.37 g/mol
Exact Mass355.14
IUPAC NameN-[1-(4-fluoro-2-methylanilino)-1-oxopropan-2-yl]-2-methylimidazo[1,2-a]pyrimidine-3-carboxamide
SMILESCc1cc(F)ccc1NC(=O)C(C)NC(=O)c1c(C)nc2ncccn12
InChIInChI=1S/C18H18FN5O2/c1-10-9-13(19)5-6-14(10)23-16(25)12(3)21-17(26)15-11(2)22-18-20-7-4-8-24(15)18/h4-9,12H,1-3H3,(H,21,26)(H,23,25)
InChIKeyQNDLZPKIHMTFJV-UHFFFAOYSA-N
XLogP2.24
TPSA88.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.37
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-1-(4-fluoro-2-methylanilino)-1-oxopropan-2-yl]-2-methylbenzamide
CID 51605145
[(2S)-1-[4-fluoro-2-(pyrimidin-2-ylamino)anilino]-1-oxopropan-2-yl]carbamic acid
CID 141346028
5-acetamido-2-chloro-N-[(2R)-1-(4-fluoro-2-methylanilino)-1-oxopropan-2-yl]benzamide
CID 95143326
5-acetamido-2-chloro-N-[1-(4-fluoro-2-methylanilino)-1-oxopropan-2-yl]benzamide
CID 50980049
N-[(2S)-1-(5-fluoro-2-methylanilino)-1-oxopropan-2-yl]pyrazolo[1,5-a]pyridine-7-carboxamide
CID 95717323
N-[1-(2,4-difluoroanilino)-1-oxopropan-2-yl]benzamide
CID 18160924
2-fluoro-N-[(2S)-1-(5-fluoro-2-methylanilino)-1-oxopropan-2-yl]benzamide
CID 51604994
N-[(2S)-1-(2,4-dimethylanilino)-1-oxopropan-2-yl]-2-fluorobenzamide
CID 51604984
N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-2-methylimidazo[1,2-a]pyrimidine-3-carboxamide
CID 91780244
N-(4-fluoro-2-methylphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 141390704
N-(2,4-difluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 1169223
2-chloro-N-[(4-fluoro-2-methylphenyl)carbamoyl]propanamide
CID 43146314

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluoro-2-methylanilino)-1-oxopropan-2-yl]-2-methylimidazo[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[1-(4-fluoro-2-methylanilino)-1-oxopropan-2-yl]-2-methylimidazo[1,2-a]pyrimidine-3-carboxamide (CID 56738715) is N-[1-(4-fluoro-2-methylanilino)-1-oxopropan-2-yl]-2-methylimidazo[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[1-(4-fluoro-2-methylanilino)-1-oxopropan-2-yl]-2-methylimidazo[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[1-(4-fluoro-2-methylanilino)-1-oxopropan-2-yl]-2-methylimidazo[1,2-a]pyrimidine-3-carboxamide is Cc1cc(F)ccc1NC(=O)C(C)NC(=O)c1c(C)nc2ncccn12.
What is the InChIKey of N-[1-(4-fluoro-2-methylanilino)-1-oxopropan-2-yl]-2-methylimidazo[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is QNDLZPKIHMTFJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN5O2/c1-10-9-13(19)5-6-14(10)23-16(25)12(3)21-17(26)15-11(2)22-18-20-7-4-8-24(15)18/h4-9,12H,1-3H3,(H,21,26)(H,23,25).
What are the key properties of N-[1-(4-fluoro-2-methylanilino)-1-oxopropan-2-yl]-2-methylimidazo[1,2-a]pyrimidine-3-carboxamide?
N-[1-(4-fluoro-2-methylanilino)-1-oxopropan-2-yl]-2-methylimidazo[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 355.37 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluoro-2-methylanilino)-1-oxopropan-2-yl]-2-methylimidazo[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 56738715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).