(3R)-1-[6-(1,4-dimethylpiperidin-4-yl)-2-methylpyrimidine-4-carbonyl]-N-methyl-3-pyridin-2-ylpiperidine-3-carboxamide

C25H34N6O2 — CID 125004681

IUPAC(3R)-1-[6-(1,4-dimethylpiperidin-4-yl)-2-methylpyrimidine-4-carbonyl]-N-methyl-3-pyridin-2-ylpiperidine-3-carboxamide
SMILESCNC(=O)[C@]1(c2ccccn2)CCCN(C(=O)c2cc(C3(C)CCN(C)CC3)nc(C)n2)C1
InChIInChI=1S/C25H34N6O2/c1-18-28-19(16-21(29-18)24(2)10-14-30(4)15-11-24)22(32)31-13-7-9-25(17-31,23(33)26-3)20-8-5-6-12-27-20/h5-6,8,12,16H,7,9-11,13-15,17H2,1-4H3,(H,26,33)/t25-/m1/s1
InChIKeyTUETXHJOCIFWKD-RUZDIDTESA-N
MW450.59 g/mol
LogP2.08
Rot. Bonds4

About (3R)-1-[6-(1,4-dimethylpiperidin-4-yl)-2-methylpyrimidine-4-carbonyl]-N-methyl-3-pyridin-2-ylpiperidine-3-carboxamide

(3R)-1-[6-(1,4-dimethylpiperidin-4-yl)-2-methylpyrimidine-4-carbonyl]-N-methyl-3-pyridin-2-ylpiperidine-3-carboxamide (PubChem CID 125004681) has the molecular formula C25H34N6O2 and a molecular weight of 450.59 g/mol. Its IUPAC name is (3R)-1-[6-(1,4-dimethylpiperidin-4-yl)-2-methylpyrimidine-4-carbonyl]-N-methyl-3-pyridin-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[6-(1,4-dimethylpiperidin-4-yl)-2-methylpyrimidine-4-carbonyl]-N-methyl-3-pyridin-2-ylpiperidine-3-carboxamide
PubChem CID125004681
Molecular FormulaC25H34N6O2
Molecular Weight450.59 g/mol
Exact Mass450.27
IUPAC Name(3R)-1-[6-(1,4-dimethylpiperidin-4-yl)-2-methylpyrimidine-4-carbonyl]-N-methyl-3-pyridin-2-ylpiperidine-3-carboxamide
SMILESCNC(=O)[C@]1(c2ccccn2)CCCN(C(=O)c2cc(C3(C)CCN(C)CC3)nc(C)n2)C1
InChIInChI=1S/C25H34N6O2/c1-18-28-19(16-21(29-18)24(2)10-14-30(4)15-11-24)22(32)31-13-7-9-25(17-31,23(33)26-3)20-8-5-6-12-27-20/h5-6,8,12,16H,7,9-11,13-15,17H2,1-4H3,(H,26,33)/t25-/m1/s1
InChIKeyTUETXHJOCIFWKD-RUZDIDTESA-N
XLogP2.08
TPSA91.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.59
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3R)-1-[6-(1,4-dimethylpiperidin-4-yl)-2-methylpyrimidine-4-carbonyl]-N-methyl-3-pyridin-2-ylpiperidine-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

1-[3-[(2,6-dimethylpyrimidin-4-yl)amino]benzoyl]-N-methyl-3-pyridin-2-ylpiperidine-3-carboxamide
CID 110149427
(3S)-1-[3-[(4,6-dimethylpyrimidin-2-yl)amino]benzoyl]-N-methyl-3-pyridin-2-ylpiperidine-3-carboxamide
CID 124986297
(3R)-1-(1-benzoyl-4-methylpiperidine-4-carbonyl)-N-methyl-3-pyridin-2-ylpiperidine-3-carboxamide
CID 124999862
(3R)-N-methyl-3-pyridin-2-yl-1-[2-(pyrrolidin-1-ylmethyl)benzoyl]piperidine-3-carboxamide
CID 124979911
(3S)-1-[4-(3,5-dimethylphenyl)oxane-4-carbonyl]-N-methyl-3-pyridin-2-ylpiperidine-3-carboxamide
CID 124950671
(3R)-N-methyl-1-[2-[(2-methylimidazol-1-yl)methyl]benzoyl]-3-pyridin-2-ylpiperidine-3-carboxamide
CID 125008722
1-[3-methoxy-4-(pyridin-2-ylmethoxy)benzoyl]-N-methyl-3-pyridin-2-ylpiperidine-3-carboxamide
CID 110151987
(3R)-N-methyl-1-[3-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzoyl]-3-pyridin-2-ylpiperidine-3-carboxamide
CID 125003814
(3R)-N-methyl-1-[4-methyl-3-(pyridin-3-ylmethylamino)benzoyl]-3-pyridin-2-ylpiperidine-3-carboxamide
CID 124940051
1-[2-(3-methoxyanilino)pyridine-3-carbonyl]-N-methyl-3-pyridin-2-ylpiperidine-3-carboxamide
CID 110151518
1-[4-(3-fluorophenyl)oxane-4-carbonyl]-N-methyl-3-pyridin-2-ylpiperidine-3-carboxamide
CID 110148571
(3S)-N-methyl-1-[(3S)-1-methyl-3-(3-pyridin-3-ylpropyl)piperidine-3-carbonyl]-3-pyridin-2-ylpiperidine-3-carboxamide
CID 124987137

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[6-(1,4-dimethylpiperidin-4-yl)-2-methylpyrimidine-4-carbonyl]-N-methyl-3-pyridin-2-ylpiperidine-3-carboxamide?
The IUPAC name of (3R)-1-[6-(1,4-dimethylpiperidin-4-yl)-2-methylpyrimidine-4-carbonyl]-N-methyl-3-pyridin-2-ylpiperidine-3-carboxamide (CID 125004681) is (3R)-1-[6-(1,4-dimethylpiperidin-4-yl)-2-methylpyrimidine-4-carbonyl]-N-methyl-3-pyridin-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[6-(1,4-dimethylpiperidin-4-yl)-2-methylpyrimidine-4-carbonyl]-N-methyl-3-pyridin-2-ylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[6-(1,4-dimethylpiperidin-4-yl)-2-methylpyrimidine-4-carbonyl]-N-methyl-3-pyridin-2-ylpiperidine-3-carboxamide is CNC(=O)[C@]1(c2ccccn2)CCCN(C(=O)c2cc(C3(C)CCN(C)CC3)nc(C)n2)C1.
What is the InChIKey of (3R)-1-[6-(1,4-dimethylpiperidin-4-yl)-2-methylpyrimidine-4-carbonyl]-N-methyl-3-pyridin-2-ylpiperidine-3-carboxamide?
The InChIKey is TUETXHJOCIFWKD-RUZDIDTESA-N. The full InChI is InChI=1S/C25H34N6O2/c1-18-28-19(16-21(29-18)24(2)10-14-30(4)15-11-24)22(32)31-13-7-9-25(17-31,23(33)26-3)20-8-5-6-12-27-20/h5-6,8,12,16H,7,9-11,13-15,17H2,1-4H3,(H,26,33)/t25-/m1/s1.
What are the key properties of (3R)-1-[6-(1,4-dimethylpiperidin-4-yl)-2-methylpyrimidine-4-carbonyl]-N-methyl-3-pyridin-2-ylpiperidine-3-carboxamide?
(3R)-1-[6-(1,4-dimethylpiperidin-4-yl)-2-methylpyrimidine-4-carbonyl]-N-methyl-3-pyridin-2-ylpiperidine-3-carboxamide has a molecular weight of 450.59 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[6-(1,4-dimethylpiperidin-4-yl)-2-methylpyrimidine-4-carbonyl]-N-methyl-3-pyridin-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 125004681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).