N-cyclobutyl-5-[[5-methyl-4-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]pyrimidin-2-yl]amino]pyridine-2-carboxamide

C22H21N7O3 — CID 66659906

IUPACN-cyclobutyl-5-[[5-methyl-4-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]pyrimidin-2-yl]amino]pyridine-2-carboxamide
SMILESCc1cnc(Nc2ccc(C(=O)NC3CCC3)nc2)nc1Nc1ccc2oc(=O)[nH]c2c1
InChIInChI=1S/C22H21N7O3/c1-12-10-24-21(27-15-5-7-16(23-11-15)20(30)26-13-3-2-4-13)29-19(12)25-14-6-8-18-17(9-14)28-22(31)32-18/h5-11,13H,2-4H2,1H3,(H,26,30)(H,28,31)(H2,24,25,27,29)
InChIKeyZUROZEVGKLRLEE-UHFFFAOYSA-N
MW431.46 g/mol
LogP3.38
Rot. Bonds6

About N-cyclobutyl-5-[[5-methyl-4-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]pyrimidin-2-yl]amino]pyridine-2-carboxamide

N-cyclobutyl-5-[[5-methyl-4-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]pyrimidin-2-yl]amino]pyridine-2-carboxamide (PubChem CID 66659906) has the molecular formula C22H21N7O3 and a molecular weight of 431.46 g/mol. Its IUPAC name is N-cyclobutyl-5-[[5-methyl-4-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]pyrimidin-2-yl]amino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-cyclobutyl-5-[[5-methyl-4-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]pyrimidin-2-yl]amino]pyridine-2-carboxamide
PubChem CID66659906
Molecular FormulaC22H21N7O3
Molecular Weight431.46 g/mol
Exact Mass431.17
IUPAC NameN-cyclobutyl-5-[[5-methyl-4-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]pyrimidin-2-yl]amino]pyridine-2-carboxamide
SMILESCc1cnc(Nc2ccc(C(=O)NC3CCC3)nc2)nc1Nc1ccc2oc(=O)[nH]c2c1
InChIInChI=1S/C22H21N7O3/c1-12-10-24-21(27-15-5-7-16(23-11-15)20(30)26-13-3-2-4-13)29-19(12)25-14-6-8-18-17(9-14)28-22(31)32-18/h5-11,13H,2-4H2,1H3,(H,26,30)(H,28,31)(H2,24,25,27,29)
InChIKeyZUROZEVGKLRLEE-UHFFFAOYSA-N
XLogP3.38
TPSA137.83 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.46
LogP ≤ 53.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Launch Full Analysis

Related Compounds

5-[[5-methyl-2-(3,4,5-trimethylanilino)pyrimidin-4-yl]amino]-3H-1,3-benzoxazol-2-one
CID 58071391
5-[[2-(4-acetylanilino)-5-methylpyrimidin-4-yl]amino]-3H-1,3-benzoxazol-2-one
CID 66659730
5-[[2-(3-fluoro-4-methylanilino)-5-methylpyrimidin-4-yl]amino]-3H-1,3-benzoxazol-2-one
CID 66660089
4-[[5-methyl-4-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]pyrimidin-2-yl]amino]benzamide
CID 46853031
5-[[5-methyl-2-(pyridin-3-ylamino)pyrimidin-4-yl]amino]-3H-1,3-benzoxazol-2-one
CID 66659813
5-[[2-(4-tert-butylanilino)-5-methylpyrimidin-4-yl]amino]-3H-1,3-benzoxazol-2-one
CID 66659849
5-[[2-(1H-indazol-6-ylamino)-5-methylpyrimidin-4-yl]amino]-3H-1,3-benzoxazol-2-one
CID 66660105
5-[[2-[[6-[[(3S)-1-benzylpiperidin-3-yl]amino]-3-pyridinyl]amino]-5-methylpyrimidin-4-yl]amino]-3H-1,3-benzoxazol-2-one
CID 66659907
5-[[2-(1,3-benzodioxol-5-ylamino)-5-methylpyrimidin-4-yl]amino]-3H-1,3-benzoxazol-2-one
CID 66659370
5-[[5-methyl-2-[[6-(2-methyldiazetidin-1-yl)-3-pyridinyl]amino]pyrimidin-4-yl]amino]-3H-1,3-benzoxazol-2-one
CID 164577742
5-[[5-methyl-2-[(6-piperazin-1-yl-3-pyridinyl)amino]pyrimidin-4-yl]amino]-3H-1,3-benzoxazol-2-one
CID 66660070
5-[[2-(4-chloro-3-methoxyanilino)-5-methylpyrimidin-4-yl]amino]-3H-1,3-benzoxazol-2-one
CID 66659151

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-5-[[5-methyl-4-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]pyrimidin-2-yl]amino]pyridine-2-carboxamide?
The IUPAC name of N-cyclobutyl-5-[[5-methyl-4-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]pyrimidin-2-yl]amino]pyridine-2-carboxamide (CID 66659906) is N-cyclobutyl-5-[[5-methyl-4-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]pyrimidin-2-yl]amino]pyridine-2-carboxamide.
What is the SMILES notation for N-cyclobutyl-5-[[5-methyl-4-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]pyrimidin-2-yl]amino]pyridine-2-carboxamide?
The canonical SMILES for N-cyclobutyl-5-[[5-methyl-4-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]pyrimidin-2-yl]amino]pyridine-2-carboxamide is Cc1cnc(Nc2ccc(C(=O)NC3CCC3)nc2)nc1Nc1ccc2oc(=O)[nH]c2c1.
What is the InChIKey of N-cyclobutyl-5-[[5-methyl-4-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]pyrimidin-2-yl]amino]pyridine-2-carboxamide?
The InChIKey is ZUROZEVGKLRLEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N7O3/c1-12-10-24-21(27-15-5-7-16(23-11-15)20(30)26-13-3-2-4-13)29-19(12)25-14-6-8-18-17(9-14)28-22(31)32-18/h5-11,13H,2-4H2,1H3,(H,26,30)(H,28,31)(H2,24,25,27,29).
What are the key properties of N-cyclobutyl-5-[[5-methyl-4-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]pyrimidin-2-yl]amino]pyridine-2-carboxamide?
N-cyclobutyl-5-[[5-methyl-4-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]pyrimidin-2-yl]amino]pyridine-2-carboxamide has a molecular weight of 431.46 g/mol, XLogP of 3.38, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-5-[[5-methyl-4-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]pyrimidin-2-yl]amino]pyridine-2-carboxamide is sourced from PubChem (CID 66659906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).