2-(4-methylpiperidin-1-yl)-4-(1-pyridin-3-ylcyclopentyl)-N-(1-pyridin-3-ylethyl)pyrimidine-5-carboxamide

C28H34N6O — CID 23548275

IUPAC2-(4-methylpiperidin-1-yl)-4-(1-pyridin-3-ylcyclopentyl)-N-(1-pyridin-3-ylethyl)pyrimidine-5-carboxamide
SMILESCC1CCN(c2ncc(C(=O)NC(C)c3cccnc3)c(C3(c4cccnc4)CCCC3)n2)CC1
InChIInChI=1S/C28H34N6O/c1-20-9-15-34(16-10-20)27-31-19-24(26(35)32-21(2)22-7-5-13-29-17-22)25(33-27)28(11-3-4-12-28)23-8-6-14-30-18-23/h5-8,13-14,17-21H,3-4,9-12,15-16H2,1-2H3,(H,32,35)
InChIKeyCRIBNUHUJDUVSC-UHFFFAOYSA-N
MW470.62 g/mol
LogP4.85
Rot. Bonds6

About 2-(4-methylpiperidin-1-yl)-4-(1-pyridin-3-ylcyclopentyl)-N-(1-pyridin-3-ylethyl)pyrimidine-5-carboxamide

2-(4-methylpiperidin-1-yl)-4-(1-pyridin-3-ylcyclopentyl)-N-(1-pyridin-3-ylethyl)pyrimidine-5-carboxamide (PubChem CID 23548275) has the molecular formula C28H34N6O and a molecular weight of 470.62 g/mol. Its IUPAC name is 2-(4-methylpiperidin-1-yl)-4-(1-pyridin-3-ylcyclopentyl)-N-(1-pyridin-3-ylethyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(4-methylpiperidin-1-yl)-4-(1-pyridin-3-ylcyclopentyl)-N-(1-pyridin-3-ylethyl)pyrimidine-5-carboxamide
PubChem CID23548275
Molecular FormulaC28H34N6O
Molecular Weight470.62 g/mol
Exact Mass470.28
IUPAC Name2-(4-methylpiperidin-1-yl)-4-(1-pyridin-3-ylcyclopentyl)-N-(1-pyridin-3-ylethyl)pyrimidine-5-carboxamide
SMILESCC1CCN(c2ncc(C(=O)NC(C)c3cccnc3)c(C3(c4cccnc4)CCCC3)n2)CC1
InChIInChI=1S/C28H34N6O/c1-20-9-15-34(16-10-20)27-31-19-24(26(35)32-21(2)22-7-5-13-29-17-22)25(33-27)28(11-3-4-12-28)23-8-6-14-30-18-23/h5-8,13-14,17-21H,3-4,9-12,15-16H2,1-2H3,(H,32,35)
InChIKeyCRIBNUHUJDUVSC-UHFFFAOYSA-N
XLogP4.85
TPSA83.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.62
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperidin-1-yl)-4-(1-pyridin-3-ylcyclopentyl)-N-(1-pyridin-3-ylethyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-(4-methylpiperidin-1-yl)-4-(1-pyridin-3-ylcyclopentyl)-N-(1-pyridin-3-ylethyl)pyrimidine-5-carboxamide (CID 23548275) is 2-(4-methylpiperidin-1-yl)-4-(1-pyridin-3-ylcyclopentyl)-N-(1-pyridin-3-ylethyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(4-methylpiperidin-1-yl)-4-(1-pyridin-3-ylcyclopentyl)-N-(1-pyridin-3-ylethyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-(4-methylpiperidin-1-yl)-4-(1-pyridin-3-ylcyclopentyl)-N-(1-pyridin-3-ylethyl)pyrimidine-5-carboxamide is CC1CCN(c2ncc(C(=O)NC(C)c3cccnc3)c(C3(c4cccnc4)CCCC3)n2)CC1.
What is the InChIKey of 2-(4-methylpiperidin-1-yl)-4-(1-pyridin-3-ylcyclopentyl)-N-(1-pyridin-3-ylethyl)pyrimidine-5-carboxamide?
The InChIKey is CRIBNUHUJDUVSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N6O/c1-20-9-15-34(16-10-20)27-31-19-24(26(35)32-21(2)22-7-5-13-29-17-22)25(33-27)28(11-3-4-12-28)23-8-6-14-30-18-23/h5-8,13-14,17-21H,3-4,9-12,15-16H2,1-2H3,(H,32,35).
What are the key properties of 2-(4-methylpiperidin-1-yl)-4-(1-pyridin-3-ylcyclopentyl)-N-(1-pyridin-3-ylethyl)pyrimidine-5-carboxamide?
2-(4-methylpiperidin-1-yl)-4-(1-pyridin-3-ylcyclopentyl)-N-(1-pyridin-3-ylethyl)pyrimidine-5-carboxamide has a molecular weight of 470.62 g/mol, XLogP of 4.85, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperidin-1-yl)-4-(1-pyridin-3-ylcyclopentyl)-N-(1-pyridin-3-ylethyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 23548275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).