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

C29H35N5O — CID 23548276

IUPAC2-(4-methylpiperidin-1-yl)-4-(1-phenylcyclopentyl)-N-(1-pyridin-2-ylethyl)pyrimidine-5-carboxamide
SMILESCC1CCN(c2ncc(C(=O)NC(C)c3ccccn3)c(C3(c4ccccc4)CCCC3)n2)CC1
InChIInChI=1S/C29H35N5O/c1-21-13-18-34(19-14-21)28-31-20-24(27(35)32-22(2)25-12-6-9-17-30-25)26(33-28)29(15-7-8-16-29)23-10-4-3-5-11-23/h3-6,9-12,17,20-22H,7-8,13-16,18-19H2,1-2H3,(H,32,35)
InChIKeySDOYXGBCWSRYON-UHFFFAOYSA-N
MW469.63 g/mol
LogP5.46
Rot. Bonds6

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

2-(4-methylpiperidin-1-yl)-4-(1-phenylcyclopentyl)-N-(1-pyridin-2-ylethyl)pyrimidine-5-carboxamide (PubChem CID 23548276) has the molecular formula C29H35N5O and a molecular weight of 469.63 g/mol. Its IUPAC name is 2-(4-methylpiperidin-1-yl)-4-(1-phenylcyclopentyl)-N-(1-pyridin-2-ylethyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(4-methylpiperidin-1-yl)-4-(1-phenylcyclopentyl)-N-(1-pyridin-2-ylethyl)pyrimidine-5-carboxamide
PubChem CID23548276
Molecular FormulaC29H35N5O
Molecular Weight469.63 g/mol
Exact Mass469.28
IUPAC Name2-(4-methylpiperidin-1-yl)-4-(1-phenylcyclopentyl)-N-(1-pyridin-2-ylethyl)pyrimidine-5-carboxamide
SMILESCC1CCN(c2ncc(C(=O)NC(C)c3ccccn3)c(C3(c4ccccc4)CCCC3)n2)CC1
InChIInChI=1S/C29H35N5O/c1-21-13-18-34(19-14-21)28-31-20-24(27(35)32-22(2)25-12-6-9-17-30-25)26(33-28)29(15-7-8-16-29)23-10-4-3-5-11-23/h3-6,9-12,17,20-22H,7-8,13-16,18-19H2,1-2H3,(H,32,35)
InChIKeySDOYXGBCWSRYON-UHFFFAOYSA-N
XLogP5.46
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.63
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperidin-1-yl)-4-(1-phenylcyclopentyl)-N-(1-pyridin-2-ylethyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-(4-methylpiperidin-1-yl)-4-(1-phenylcyclopentyl)-N-(1-pyridin-2-ylethyl)pyrimidine-5-carboxamide (CID 23548276) is 2-(4-methylpiperidin-1-yl)-4-(1-phenylcyclopentyl)-N-(1-pyridin-2-ylethyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(4-methylpiperidin-1-yl)-4-(1-phenylcyclopentyl)-N-(1-pyridin-2-ylethyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-(4-methylpiperidin-1-yl)-4-(1-phenylcyclopentyl)-N-(1-pyridin-2-ylethyl)pyrimidine-5-carboxamide is CC1CCN(c2ncc(C(=O)NC(C)c3ccccn3)c(C3(c4ccccc4)CCCC3)n2)CC1.
What is the InChIKey of 2-(4-methylpiperidin-1-yl)-4-(1-phenylcyclopentyl)-N-(1-pyridin-2-ylethyl)pyrimidine-5-carboxamide?
The InChIKey is SDOYXGBCWSRYON-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N5O/c1-21-13-18-34(19-14-21)28-31-20-24(27(35)32-22(2)25-12-6-9-17-30-25)26(33-28)29(15-7-8-16-29)23-10-4-3-5-11-23/h3-6,9-12,17,20-22H,7-8,13-16,18-19H2,1-2H3,(H,32,35).
What are the key properties of 2-(4-methylpiperidin-1-yl)-4-(1-phenylcyclopentyl)-N-(1-pyridin-2-ylethyl)pyrimidine-5-carboxamide?
2-(4-methylpiperidin-1-yl)-4-(1-phenylcyclopentyl)-N-(1-pyridin-2-ylethyl)pyrimidine-5-carboxamide has a molecular weight of 469.63 g/mol, XLogP of 5.46, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperidin-1-yl)-4-(1-phenylcyclopentyl)-N-(1-pyridin-2-ylethyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 23548276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).