2-methyl-N-[4-[(7-oxo-8-propan-2-ylpyrido[2,3-d]pyrimidin-2-yl)amino]cyclohexyl]propanamide

C20H29N5O2 — CID 118146870

IUPAC2-methyl-N-[4-[(7-oxo-8-propan-2-ylpyrido[2,3-d]pyrimidin-2-yl)amino]cyclohexyl]propanamide
SMILESCC(C)C(=O)NC1CCC(Nc2ncc3ccc(=O)n(C(C)C)c3n2)CC1
InChIInChI=1S/C20H29N5O2/c1-12(2)19(27)22-15-6-8-16(9-7-15)23-20-21-11-14-5-10-17(26)25(13(3)4)18(14)24-20/h5,10-13,15-16H,6-9H2,1-4H3,(H,22,27)(H,21,23,24)
InChIKeySIBBXUMRESEGRS-UHFFFAOYSA-N
MW371.49 g/mol
LogP2.87
Rot. Bonds5

About 2-methyl-N-[4-[(7-oxo-8-propan-2-ylpyrido[2,3-d]pyrimidin-2-yl)amino]cyclohexyl]propanamide

2-methyl-N-[4-[(7-oxo-8-propan-2-ylpyrido[2,3-d]pyrimidin-2-yl)amino]cyclohexyl]propanamide (PubChem CID 118146870) has the molecular formula C20H29N5O2 and a molecular weight of 371.49 g/mol. Its IUPAC name is 2-methyl-N-[4-[(7-oxo-8-propan-2-ylpyrido[2,3-d]pyrimidin-2-yl)amino]cyclohexyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[4-[(7-oxo-8-propan-2-ylpyrido[2,3-d]pyrimidin-2-yl)amino]cyclohexyl]propanamide
PubChem CID118146870
Molecular FormulaC20H29N5O2
Molecular Weight371.49 g/mol
Exact Mass371.23
IUPAC Name2-methyl-N-[4-[(7-oxo-8-propan-2-ylpyrido[2,3-d]pyrimidin-2-yl)amino]cyclohexyl]propanamide
SMILESCC(C)C(=O)NC1CCC(Nc2ncc3ccc(=O)n(C(C)C)c3n2)CC1
InChIInChI=1S/C20H29N5O2/c1-12(2)19(27)22-15-6-8-16(9-7-15)23-20-21-11-14-5-10-17(26)25(13(3)4)18(14)24-20/h5,10-13,15-16H,6-9H2,1-4H3,(H,22,27)(H,21,23,24)
InChIKeySIBBXUMRESEGRS-UHFFFAOYSA-N
XLogP2.87
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-methyl-N-[4-[(7-oxo-8-propan-2-ylpyrido[2,3-d]pyrimidin-2-yl)amino]cyclohexyl]propanamide with MolForge

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Related Compounds

1-{trans-4-[(8-Cyclopentyl-7-Oxo-7,8-Dihydropyrido[2,3-D]pyrimidin-2-Yl)amino]cyclohexyl}-3-Propan-2-Ylurea
CID 91754589
1-(Trans-4-{[7-Oxo-8-(Propan-2-Yl)-7,8-Dihydropyrido[2,3-D]pyrimidin-2-Yl]amino}cyclohexyl)-3-Propan-2-Ylurea
CID 91754590
US10233188, Example 1
CID 134247531
US10233188, Example 21
CID 134247563
US10233188, Example 135
CID 134247622
US10233188, Example 19
CID 134253053
US10233188, Example 22
CID 134253054
US10233188, Example 36
CID 134253062
C2 Pyrido[2,3-d]pyrimidin-7-one deriv. 15
CID 5330201
C2 Pyrido[2,3-d]pyrimidin-7-one deriv. 16
CID 5330202
C2 Pyrido[2,3-d]pyrimidin-7-one deriv. 17
CID 5330203
1-cyclohexyl-5-{[2-(methylthio)-5-pyrimidinyl]methylene}-2,4,6(1H,3H,5H)-pyrimidinetrione
CID 885031

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-[(7-oxo-8-propan-2-ylpyrido[2,3-d]pyrimidin-2-yl)amino]cyclohexyl]propanamide?
The IUPAC name of 2-methyl-N-[4-[(7-oxo-8-propan-2-ylpyrido[2,3-d]pyrimidin-2-yl)amino]cyclohexyl]propanamide (CID 118146870) is 2-methyl-N-[4-[(7-oxo-8-propan-2-ylpyrido[2,3-d]pyrimidin-2-yl)amino]cyclohexyl]propanamide.
What is the SMILES notation for 2-methyl-N-[4-[(7-oxo-8-propan-2-ylpyrido[2,3-d]pyrimidin-2-yl)amino]cyclohexyl]propanamide?
The canonical SMILES for 2-methyl-N-[4-[(7-oxo-8-propan-2-ylpyrido[2,3-d]pyrimidin-2-yl)amino]cyclohexyl]propanamide is CC(C)C(=O)NC1CCC(Nc2ncc3ccc(=O)n(C(C)C)c3n2)CC1.
What is the InChIKey of 2-methyl-N-[4-[(7-oxo-8-propan-2-ylpyrido[2,3-d]pyrimidin-2-yl)amino]cyclohexyl]propanamide?
The InChIKey is SIBBXUMRESEGRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O2/c1-12(2)19(27)22-15-6-8-16(9-7-15)23-20-21-11-14-5-10-17(26)25(13(3)4)18(14)24-20/h5,10-13,15-16H,6-9H2,1-4H3,(H,22,27)(H,21,23,24).
What are the key properties of 2-methyl-N-[4-[(7-oxo-8-propan-2-ylpyrido[2,3-d]pyrimidin-2-yl)amino]cyclohexyl]propanamide?
2-methyl-N-[4-[(7-oxo-8-propan-2-ylpyrido[2,3-d]pyrimidin-2-yl)amino]cyclohexyl]propanamide has a molecular weight of 371.49 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-[(7-oxo-8-propan-2-ylpyrido[2,3-d]pyrimidin-2-yl)amino]cyclohexyl]propanamide is sourced from PubChem (CID 118146870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).