N-[2-[(4-methoxycyclohexyl)amino]-8-(1,2-oxazol-4-yl)pyrido[4,3-d]pyrimidin-5-yl]benzamide

C24H24N6O3 — CID 167021746

IUPACN-[2-[(4-methoxycyclohexyl)amino]-8-(1,2-oxazol-4-yl)pyrido[4,3-d]pyrimidin-5-yl]benzamide
SMILESCOC1CCC(Nc2ncc3c(NC(=O)c4ccccc4)ncc(-c4cnoc4)c3n2)CC1
InChIInChI=1S/C24H24N6O3/c1-32-18-9-7-17(8-10-18)28-24-26-13-20-21(29-24)19(16-11-27-33-14-16)12-25-22(20)30-23(31)15-5-3-2-4-6-15/h2-6,11-14,17-18H,7-10H2,1H3,(H,25,30,31)(H,26,28,29)
InChIKeyJLEDCLKIWMBVJZ-UHFFFAOYSA-N
MW444.50 g/mol
LogP4.30
Rot. Bonds6

About N-[2-[(4-methoxycyclohexyl)amino]-8-(1,2-oxazol-4-yl)pyrido[4,3-d]pyrimidin-5-yl]benzamide

N-[2-[(4-methoxycyclohexyl)amino]-8-(1,2-oxazol-4-yl)pyrido[4,3-d]pyrimidin-5-yl]benzamide (PubChem CID 167021746) has the molecular formula C24H24N6O3 and a molecular weight of 444.50 g/mol. Its IUPAC name is N-[2-[(4-methoxycyclohexyl)amino]-8-(1,2-oxazol-4-yl)pyrido[4,3-d]pyrimidin-5-yl]benzamide.

Molecular Properties

Compound NameN-[2-[(4-methoxycyclohexyl)amino]-8-(1,2-oxazol-4-yl)pyrido[4,3-d]pyrimidin-5-yl]benzamide
PubChem CID167021746
Molecular FormulaC24H24N6O3
Molecular Weight444.50 g/mol
Exact Mass444.19
IUPAC NameN-[2-[(4-methoxycyclohexyl)amino]-8-(1,2-oxazol-4-yl)pyrido[4,3-d]pyrimidin-5-yl]benzamide
SMILESCOC1CCC(Nc2ncc3c(NC(=O)c4ccccc4)ncc(-c4cnoc4)c3n2)CC1
InChIInChI=1S/C24H24N6O3/c1-32-18-9-7-17(8-10-18)28-24-26-13-20-21(29-24)19(16-11-27-33-14-16)12-25-22(20)30-23(31)15-5-3-2-4-6-15/h2-6,11-14,17-18H,7-10H2,1H3,(H,25,30,31)(H,26,28,29)
InChIKeyJLEDCLKIWMBVJZ-UHFFFAOYSA-N
XLogP4.30
TPSA115.06 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.50
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[2-[(4-methoxycyclohexyl)amino]-8-(1,2-oxazol-4-yl)pyrido[4,3-d]pyrimidin-5-yl]benzamide with MolForge

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Related Compounds

N-[2-[(4-ethoxycyclohexyl)amino]-8-[4-(morpholine-4-carbonyl)phenyl]pyrido[4,3-d]pyrimidin-5-yl]benzamide
CID 167021870
2-[5-amino-2-[(4-methoxycyclohexyl)amino]pyrido[4,3-d]pyrimidin-8-yl]benzonitrile
CID 175787681
4-[(4-aminocyclohexyl)amino]-2-[(4-methoxycyclohexyl)amino]pyrimidine-5-carboxamide
CID 66576316
ethyl 4-[(4,5-diphenylpyrimidin-2-yl)amino]cyclohexane-1-carboxylate
CID 68580771
5-chloro-N-(4-methoxycyclohexyl)-8-(4-morpholin-4-ylquinazolin-7-yl)pyrido[4,3-d]pyrimidin-2-amine
CID 167021898
2-[(4-methoxycyclohexyl)amino]-4-methylsulfonylpyrimidine-5-carboxamide
CID 70982679
methyl 3-[[2-(cyclopropylamino)pyrimidine-5-carbonyl]amino]benzoate
CID 109247601
N-(4-methoxycyclohexyl)-5-[2-[(4-methoxycyclohexyl)amino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 168774063
N-(4-methoxy-1,2,5-oxadiazol-3-yl)benzamide
CID 5048432
N-(5-phenylpyrimidin-2-yl)benzamide
CID 71415986
(4-methoxycyclohexyl) benzoate
CID 101493670
2-[(4-methoxycyclohexyl)amino]-4-[[(2S)-3-methylbutan-2-yl]amino]pyrimidine-5-carboxamide
CID 71237470

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-methoxycyclohexyl)amino]-8-(1,2-oxazol-4-yl)pyrido[4,3-d]pyrimidin-5-yl]benzamide?
The IUPAC name of N-[2-[(4-methoxycyclohexyl)amino]-8-(1,2-oxazol-4-yl)pyrido[4,3-d]pyrimidin-5-yl]benzamide (CID 167021746) is N-[2-[(4-methoxycyclohexyl)amino]-8-(1,2-oxazol-4-yl)pyrido[4,3-d]pyrimidin-5-yl]benzamide.
What is the SMILES notation for N-[2-[(4-methoxycyclohexyl)amino]-8-(1,2-oxazol-4-yl)pyrido[4,3-d]pyrimidin-5-yl]benzamide?
The canonical SMILES for N-[2-[(4-methoxycyclohexyl)amino]-8-(1,2-oxazol-4-yl)pyrido[4,3-d]pyrimidin-5-yl]benzamide is COC1CCC(Nc2ncc3c(NC(=O)c4ccccc4)ncc(-c4cnoc4)c3n2)CC1.
What is the InChIKey of N-[2-[(4-methoxycyclohexyl)amino]-8-(1,2-oxazol-4-yl)pyrido[4,3-d]pyrimidin-5-yl]benzamide?
The InChIKey is JLEDCLKIWMBVJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O3/c1-32-18-9-7-17(8-10-18)28-24-26-13-20-21(29-24)19(16-11-27-33-14-16)12-25-22(20)30-23(31)15-5-3-2-4-6-15/h2-6,11-14,17-18H,7-10H2,1H3,(H,25,30,31)(H,26,28,29).
What are the key properties of N-[2-[(4-methoxycyclohexyl)amino]-8-(1,2-oxazol-4-yl)pyrido[4,3-d]pyrimidin-5-yl]benzamide?
N-[2-[(4-methoxycyclohexyl)amino]-8-(1,2-oxazol-4-yl)pyrido[4,3-d]pyrimidin-5-yl]benzamide has a molecular weight of 444.50 g/mol, XLogP of 4.30, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-methoxycyclohexyl)amino]-8-(1,2-oxazol-4-yl)pyrido[4,3-d]pyrimidin-5-yl]benzamide is sourced from PubChem (CID 167021746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).