6-cyclopentyloxy-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]pyridine-3-carboxamide

C21H27N5O2 — CID 122318605

IUPAC6-cyclopentyloxy-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]pyridine-3-carboxamide
SMILESO=C(NCc1nccc(N2CCCCC2)n1)c1ccc(OC2CCCC2)nc1
InChIInChI=1S/C21H27N5O2/c27-21(16-8-9-20(23-14-16)28-17-6-2-3-7-17)24-15-18-22-11-10-19(25-18)26-12-4-1-5-13-26/h8-11,14,17H,1-7,12-13,15H2,(H,24,27)
InChIKeyBXZHMFDLDOCRRK-UHFFFAOYSA-N
MW381.48 g/mol
LogP3.11
Rot. Bonds6

About 6-cyclopentyloxy-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]pyridine-3-carboxamide

6-cyclopentyloxy-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]pyridine-3-carboxamide (PubChem CID 122318605) has the molecular formula C21H27N5O2 and a molecular weight of 381.48 g/mol. Its IUPAC name is 6-cyclopentyloxy-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-cyclopentyloxy-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]pyridine-3-carboxamide
PubChem CID122318605
Molecular FormulaC21H27N5O2
Molecular Weight381.48 g/mol
Exact Mass381.22
IUPAC Name6-cyclopentyloxy-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]pyridine-3-carboxamide
SMILESO=C(NCc1nccc(N2CCCCC2)n1)c1ccc(OC2CCCC2)nc1
InChIInChI=1S/C21H27N5O2/c27-21(16-8-9-20(23-14-16)28-17-6-2-3-7-17)24-15-18-22-11-10-19(25-18)26-12-4-1-5-13-26/h8-11,14,17H,1-7,12-13,15H2,(H,24,27)
InChIKeyBXZHMFDLDOCRRK-UHFFFAOYSA-N
XLogP3.11
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-methoxy-N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]pyridine-3-carboxamide
CID 122317533
6-cyclopentyloxy-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]pyridine-3-carboxamide
CID 122319156
N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]benzamide
CID 72717998
6-methoxy-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]pyridine-3-carboxamide
CID 122318877
N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]cyclohexanecarboxamide
CID 72717997
4-methylsulfanyl-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]benzamide
CID 122318570
N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]-4-(trifluoromethoxy)benzamide
CID 122317464
2-cyclopentyl-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]acetamide
CID 122318482
3-fluoro-4-methyl-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]benzamide
CID 122318546
3-chloro-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]benzamide
CID 91966623
5-bromo-N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]pyridine-3-carboxamide
CID 122317411
6-cyclopentyloxy-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)pyridine-3-carboxamide
CID 122298313

Frequently Asked Questions

What is the IUPAC name of 6-cyclopentyloxy-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]pyridine-3-carboxamide?
The IUPAC name of 6-cyclopentyloxy-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]pyridine-3-carboxamide (CID 122318605) is 6-cyclopentyloxy-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-cyclopentyloxy-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 6-cyclopentyloxy-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]pyridine-3-carboxamide is O=C(NCc1nccc(N2CCCCC2)n1)c1ccc(OC2CCCC2)nc1.
What is the InChIKey of 6-cyclopentyloxy-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]pyridine-3-carboxamide?
The InChIKey is BXZHMFDLDOCRRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O2/c27-21(16-8-9-20(23-14-16)28-17-6-2-3-7-17)24-15-18-22-11-10-19(25-18)26-12-4-1-5-13-26/h8-11,14,17H,1-7,12-13,15H2,(H,24,27).
What are the key properties of 6-cyclopentyloxy-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]pyridine-3-carboxamide?
6-cyclopentyloxy-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]pyridine-3-carboxamide has a molecular weight of 381.48 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopentyloxy-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 122318605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).