6-cyclopentyloxy-N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)pyridine-3-carboxamide

C21H27N5O2 — CID 122356691

IUPAC6-cyclopentyloxy-N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)pyridine-3-carboxamide
SMILESCc1nc(N2CCCC2)nc(C)c1NC(=O)c1ccc(OC2CCCC2)nc1
InChIInChI=1S/C21H27N5O2/c1-14-19(15(2)24-21(23-14)26-11-5-6-12-26)25-20(27)16-9-10-18(22-13-16)28-17-7-3-4-8-17/h9-10,13,17H,3-8,11-12H2,1-2H3,(H,25,27)
InChIKeyAMUFRGXOROYBHU-UHFFFAOYSA-N
MW381.48 g/mol
LogP3.66
Rot. Bonds5

About 6-cyclopentyloxy-N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)pyridine-3-carboxamide

6-cyclopentyloxy-N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)pyridine-3-carboxamide (PubChem CID 122356691) has the molecular formula C21H27N5O2 and a molecular weight of 381.48 g/mol. Its IUPAC name is 6-cyclopentyloxy-N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-cyclopentyloxy-N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)pyridine-3-carboxamide
PubChem CID122356691
Molecular FormulaC21H27N5O2
Molecular Weight381.48 g/mol
Exact Mass381.22
IUPAC Name6-cyclopentyloxy-N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)pyridine-3-carboxamide
SMILESCc1nc(N2CCCC2)nc(C)c1NC(=O)c1ccc(OC2CCCC2)nc1
InChIInChI=1S/C21H27N5O2/c1-14-19(15(2)24-21(23-14)26-11-5-6-12-26)25-20(27)16-9-10-18(22-13-16)28-17-7-3-4-8-17/h9-10,13,17H,3-8,11-12H2,1-2H3,(H,25,27)
InChIKeyAMUFRGXOROYBHU-UHFFFAOYSA-N
XLogP3.66
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-6-ethoxypyridine-3-carboxamide
CID 122356686
6-cyclopentyloxy-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)pyridine-3-carboxamide
CID 122298313
6-cyclopentyloxy-N-(2-morpholin-4-ylpyrimidin-5-yl)pyridine-3-carboxamide
CID 122298955
N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-3,4-dimethoxybenzamide
CID 122356456
(6-cyclopentyloxy-3-pyridinyl)-[4-(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)piperazin-1-yl]methanone
CID 122333384
6-cyclopentyloxy-N-[2-(dimethylamino)pyrimidin-5-yl]pyridine-3-carboxamide
CID 122298052
6-cyclopentyloxy-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]pyridine-3-carboxamide
CID 122318605
N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-6-cyclopentyloxypyridine-3-carboxamide
CID 122319775
2-[(6-cyclopentyloxypyridine-3-carbonyl)amino]-2-methylpropanoic acid
CID 120515882
6-cyclopentyloxy-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]pyridine-3-carboxamide
CID 122319156
N-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-6-cyclohexyloxypyridine-3-carboxamide
CID 155302591
N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 122356884

Frequently Asked Questions

What is the IUPAC name of 6-cyclopentyloxy-N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)pyridine-3-carboxamide?
The IUPAC name of 6-cyclopentyloxy-N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)pyridine-3-carboxamide (CID 122356691) is 6-cyclopentyloxy-N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)pyridine-3-carboxamide.
What is the SMILES notation for 6-cyclopentyloxy-N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)pyridine-3-carboxamide?
The canonical SMILES for 6-cyclopentyloxy-N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)pyridine-3-carboxamide is Cc1nc(N2CCCC2)nc(C)c1NC(=O)c1ccc(OC2CCCC2)nc1.
What is the InChIKey of 6-cyclopentyloxy-N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)pyridine-3-carboxamide?
The InChIKey is AMUFRGXOROYBHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O2/c1-14-19(15(2)24-21(23-14)26-11-5-6-12-26)25-20(27)16-9-10-18(22-13-16)28-17-7-3-4-8-17/h9-10,13,17H,3-8,11-12H2,1-2H3,(H,25,27).
What are the key properties of 6-cyclopentyloxy-N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)pyridine-3-carboxamide?
6-cyclopentyloxy-N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)pyridine-3-carboxamide has a molecular weight of 381.48 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopentyloxy-N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)pyridine-3-carboxamide is sourced from PubChem (CID 122356691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).