1-[1-(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)piperidin-4-yl]pyrrolidine-2-carboxamide

C21H28N6O — CID 133421994

IUPAC1-[1-(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)piperidin-4-yl]pyrrolidine-2-carboxamide
SMILESCc1nc(-c2ccccn2)nc(N2CCC(N3CCCC3C(N)=O)CC2)c1C
InChIInChI=1S/C21H28N6O/c1-14-15(2)24-20(17-6-3-4-10-23-17)25-21(14)26-12-8-16(9-13-26)27-11-5-7-18(27)19(22)28/h3-4,6,10,16,18H,5,7-9,11-13H2,1-2H3,(H2,22,28)
InChIKeyASIRTXXGNCFZMG-UHFFFAOYSA-N
MW380.50 g/mol
LogP2.07
Rot. Bonds4

About 1-[1-(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)piperidin-4-yl]pyrrolidine-2-carboxamide

1-[1-(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)piperidin-4-yl]pyrrolidine-2-carboxamide (PubChem CID 133421994) has the molecular formula C21H28N6O and a molecular weight of 380.50 g/mol. Its IUPAC name is 1-[1-(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)piperidin-4-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[1-(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)piperidin-4-yl]pyrrolidine-2-carboxamide
PubChem CID133421994
Molecular FormulaC21H28N6O
Molecular Weight380.50 g/mol
Exact Mass380.23
IUPAC Name1-[1-(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)piperidin-4-yl]pyrrolidine-2-carboxamide
SMILESCc1nc(-c2ccccn2)nc(N2CCC(N3CCCC3C(N)=O)CC2)c1C
InChIInChI=1S/C21H28N6O/c1-14-15(2)24-20(17-6-3-4-10-23-17)25-21(14)26-12-8-16(9-13-26)27-11-5-7-18(27)19(22)28/h3-4,6,10,16,18H,5,7-9,11-13H2,1-2H3,(H2,22,28)
InChIKeyASIRTXXGNCFZMG-UHFFFAOYSA-N
XLogP2.07
TPSA88.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.50
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[1-(3-methylquinoxalin-2-yl)piperidin-4-yl]pyrrolidine-2-carboxamide
CID 133421983
4-[4-(4-fluorophenoxy)piperidin-1-yl]-5,6-dimethyl-2-pyridin-2-ylpyrimidine
CID 133316063
N-[3-(diethylamino)propyl]-1-(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)piperidine-4-carboxamide
CID 56585139
1-(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 133341479
tert-butyl N-[[1-(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)piperidin-3-yl]methyl]-N-methylcarbamate
CID 56563715
4,5-dimethyl-6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-pyridin-2-ylpyrimidine
CID 56584266
1-benzyl-4-(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)-1,4-diazepane
CID 56585223
1-[1-(6-fluoroquinazolin-4-yl)piperidin-4-yl]pyrrolidine-2-carboxamide
CID 133422015
4-methyl-6-morpholin-4-yl-2-pyridin-2-ylpyrimidine-5-carboxylic acid
CID 139881756
1-[1-[6-(3-methylpiperidin-1-yl)pyrimidin-4-yl]piperidin-4-yl]pyrrolidine-2-carboxamide
CID 133422017
1-[4-(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)piperazin-1-yl]-2-(1H-indol-3-yl)ethanone
CID 56587652
(2R)-1-[1-(2-ethoxypyridine-3-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxamide
CID 95149907

Frequently Asked Questions

What is the IUPAC name of 1-[1-(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)piperidin-4-yl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-[1-(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)piperidin-4-yl]pyrrolidine-2-carboxamide (CID 133421994) is 1-[1-(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)piperidin-4-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[1-(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)piperidin-4-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[1-(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)piperidin-4-yl]pyrrolidine-2-carboxamide is Cc1nc(-c2ccccn2)nc(N2CCC(N3CCCC3C(N)=O)CC2)c1C.
What is the InChIKey of 1-[1-(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)piperidin-4-yl]pyrrolidine-2-carboxamide?
The InChIKey is ASIRTXXGNCFZMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N6O/c1-14-15(2)24-20(17-6-3-4-10-23-17)25-21(14)26-12-8-16(9-13-26)27-11-5-7-18(27)19(22)28/h3-4,6,10,16,18H,5,7-9,11-13H2,1-2H3,(H2,22,28).
What are the key properties of 1-[1-(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)piperidin-4-yl]pyrrolidine-2-carboxamide?
1-[1-(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)piperidin-4-yl]pyrrolidine-2-carboxamide has a molecular weight of 380.50 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)piperidin-4-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 133421994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).