4-[methyl-(1-methylpiperidin-4-yl)amino]-2-phenyl-N-(2-piperidin-1-ylethyl)pyrimidine-5-carboxamide

C25H36N6O — CID 42882414

IUPAC4-[methyl-(1-methylpiperidin-4-yl)amino]-2-phenyl-N-(2-piperidin-1-ylethyl)pyrimidine-5-carboxamide
SMILESCN1CCC(N(C)c2nc(-c3ccccc3)ncc2C(=O)NCCN2CCCCC2)CC1
InChIInChI=1S/C25H36N6O/c1-29-16-11-21(12-17-29)30(2)24-22(19-27-23(28-24)20-9-5-3-6-10-20)25(32)26-13-18-31-14-7-4-8-15-31/h3,5-6,9-10,19,21H,4,7-8,11-18H2,1-2H3,(H,26,32)
InChIKeyWXNKSSLSADAIFE-UHFFFAOYSA-N
MW436.60 g/mol
LogP2.89
Rot. Bonds7

About 4-[methyl-(1-methylpiperidin-4-yl)amino]-2-phenyl-N-(2-piperidin-1-ylethyl)pyrimidine-5-carboxamide

4-[methyl-(1-methylpiperidin-4-yl)amino]-2-phenyl-N-(2-piperidin-1-ylethyl)pyrimidine-5-carboxamide (PubChem CID 42882414) has the molecular formula C25H36N6O and a molecular weight of 436.60 g/mol. Its IUPAC name is 4-[methyl-(1-methylpiperidin-4-yl)amino]-2-phenyl-N-(2-piperidin-1-ylethyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-[methyl-(1-methylpiperidin-4-yl)amino]-2-phenyl-N-(2-piperidin-1-ylethyl)pyrimidine-5-carboxamide
PubChem CID42882414
Molecular FormulaC25H36N6O
Molecular Weight436.60 g/mol
Exact Mass436.30
IUPAC Name4-[methyl-(1-methylpiperidin-4-yl)amino]-2-phenyl-N-(2-piperidin-1-ylethyl)pyrimidine-5-carboxamide
SMILESCN1CCC(N(C)c2nc(-c3ccccc3)ncc2C(=O)NCCN2CCCCC2)CC1
InChIInChI=1S/C25H36N6O/c1-29-16-11-21(12-17-29)30(2)24-22(19-27-23(28-24)20-9-5-3-6-10-20)25(32)26-13-18-31-14-7-4-8-15-31/h3,5-6,9-10,19,21H,4,7-8,11-18H2,1-2H3,(H,26,32)
InChIKeyWXNKSSLSADAIFE-UHFFFAOYSA-N
XLogP2.89
TPSA64.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.60
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[methyl-(1-methylpiperidin-4-yl)amino]-2-phenyl-N-(2-piperidin-1-ylethyl)pyrimidine-5-carboxamide?
The IUPAC name of 4-[methyl-(1-methylpiperidin-4-yl)amino]-2-phenyl-N-(2-piperidin-1-ylethyl)pyrimidine-5-carboxamide (CID 42882414) is 4-[methyl-(1-methylpiperidin-4-yl)amino]-2-phenyl-N-(2-piperidin-1-ylethyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 4-[methyl-(1-methylpiperidin-4-yl)amino]-2-phenyl-N-(2-piperidin-1-ylethyl)pyrimidine-5-carboxamide?
The canonical SMILES for 4-[methyl-(1-methylpiperidin-4-yl)amino]-2-phenyl-N-(2-piperidin-1-ylethyl)pyrimidine-5-carboxamide is CN1CCC(N(C)c2nc(-c3ccccc3)ncc2C(=O)NCCN2CCCCC2)CC1.
What is the InChIKey of 4-[methyl-(1-methylpiperidin-4-yl)amino]-2-phenyl-N-(2-piperidin-1-ylethyl)pyrimidine-5-carboxamide?
The InChIKey is WXNKSSLSADAIFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N6O/c1-29-16-11-21(12-17-29)30(2)24-22(19-27-23(28-24)20-9-5-3-6-10-20)25(32)26-13-18-31-14-7-4-8-15-31/h3,5-6,9-10,19,21H,4,7-8,11-18H2,1-2H3,(H,26,32).
What are the key properties of 4-[methyl-(1-methylpiperidin-4-yl)amino]-2-phenyl-N-(2-piperidin-1-ylethyl)pyrimidine-5-carboxamide?
4-[methyl-(1-methylpiperidin-4-yl)amino]-2-phenyl-N-(2-piperidin-1-ylethyl)pyrimidine-5-carboxamide has a molecular weight of 436.60 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-(1-methylpiperidin-4-yl)amino]-2-phenyl-N-(2-piperidin-1-ylethyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 42882414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).