N-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide

C24H23N7O2 — CID 122295737

IUPACN-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
SMILESCc1cc(Nc2ccc(NC(=O)c3cc(-c4cccnc4)on3)cc2)nc(N2CCCC2)n1
InChIInChI=1S/C24H23N7O2/c1-16-13-22(29-24(26-16)31-11-2-3-12-31)27-18-6-8-19(9-7-18)28-23(32)20-14-21(33-30-20)17-5-4-10-25-15-17/h4-10,13-15H,2-3,11-12H2,1H3,(H,28,32)(H,26,27,29)
InChIKeySBONDZHHUQVJBS-UHFFFAOYSA-N
MW441.50 g/mol
LogP4.43
Rot. Bonds6

About N-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide

N-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide (PubChem CID 122295737) has the molecular formula C24H23N7O2 and a molecular weight of 441.50 g/mol. Its IUPAC name is N-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
PubChem CID122295737
Molecular FormulaC24H23N7O2
Molecular Weight441.50 g/mol
Exact Mass441.19
IUPAC NameN-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
SMILESCc1cc(Nc2ccc(NC(=O)c3cc(-c4cccnc4)on3)cc2)nc(N2CCCC2)n1
InChIInChI=1S/C24H23N7O2/c1-16-13-22(29-24(26-16)31-11-2-3-12-31)27-18-6-8-19(9-7-18)28-23(32)20-14-21(33-30-20)17-5-4-10-25-15-17/h4-10,13-15H,2-3,11-12H2,1H3,(H,28,32)(H,26,27,29)
InChIKeySBONDZHHUQVJBS-UHFFFAOYSA-N
XLogP4.43
TPSA109.07 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.50
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

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CID 139360137
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1-(4-benzoylpiperazin-1-yl)-2-[4-(3-methylisoxazol-5-yl)-5H-pyrrolo[3,2-d]pyrimidin-7-yl]ethane-1,2-dione
CID 59729296
N-[(3S,4S)-1-(cyclobutylmethyl)-3-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]piperidin-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide
CID 141678076
N-[(3S,4S)-1-cyclohexyl-3-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]piperidin-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide
CID 141678177
6-cyclopropyl-N-(5-phenyl-1,2-oxazol-3-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
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N-(3-imidazol-1-ylpropyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 2962284
5-methyl-N-[(2S)-4-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxo-1-[[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]amino]butan-2-yl]-1,2-oxazole-3-carboxamide
CID 138545265
5-(2,4-difluorophenyl)-N-[(3S,4S)-1-ethyl-3-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide
CID 141677902
5-(2,4-difluorophenyl)-N-[(3S,4S)-1-(3-fluoropropyl)-3-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide
CID 141677922
5-(2,4-difluorophenyl)-N-[(3S,4S)-3-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide
CID 141677926

Frequently Asked Questions

What is the IUPAC name of N-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide (CID 122295737) is N-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide is Cc1cc(Nc2ccc(NC(=O)c3cc(-c4cccnc4)on3)cc2)nc(N2CCCC2)n1.
What is the InChIKey of N-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide?
The InChIKey is SBONDZHHUQVJBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N7O2/c1-16-13-22(29-24(26-16)31-11-2-3-12-31)27-18-6-8-19(9-7-18)28-23(32)20-14-21(33-30-20)17-5-4-10-25-15-17/h4-10,13-15H,2-3,11-12H2,1H3,(H,28,32)(H,26,27,29).
What are the key properties of N-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide?
N-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide has a molecular weight of 441.50 g/mol, XLogP of 4.43, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 122295737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).