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

C21H27N5O3 — CID 122319156

IUPAC6-cyclopentyloxy-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]pyridine-3-carboxamide
SMILESCc1cc(N2CCOCC2)nc(CNC(=O)c2ccc(OC3CCCC3)nc2)n1
InChIInChI=1S/C21H27N5O3/c1-15-12-19(26-8-10-28-11-9-26)25-18(24-15)14-23-21(27)16-6-7-20(22-13-16)29-17-4-2-3-5-17/h6-7,12-13,17H,2-5,8-11,14H2,1H3,(H,23,27)
InChIKeyULQFSBCUCOPPIS-UHFFFAOYSA-N
MW397.48 g/mol
LogP2.27
Rot. Bonds6

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

6-cyclopentyloxy-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]pyridine-3-carboxamide (PubChem CID 122319156) has the molecular formula C21H27N5O3 and a molecular weight of 397.48 g/mol. Its IUPAC name is 6-cyclopentyloxy-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-cyclopentyloxy-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]pyridine-3-carboxamide
PubChem CID122319156
Molecular FormulaC21H27N5O3
Molecular Weight397.48 g/mol
Exact Mass397.21
IUPAC Name6-cyclopentyloxy-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]pyridine-3-carboxamide
SMILESCc1cc(N2CCOCC2)nc(CNC(=O)c2ccc(OC3CCCC3)nc2)n1
InChIInChI=1S/C21H27N5O3/c1-15-12-19(26-8-10-28-11-9-26)25-18(24-15)14-23-21(27)16-6-7-20(22-13-16)29-17-4-2-3-5-17/h6-7,12-13,17H,2-5,8-11,14H2,1H3,(H,23,27)
InChIKeyULQFSBCUCOPPIS-UHFFFAOYSA-N
XLogP2.27
TPSA89.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-acetyl-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]benzamide
CID 122319165
3,4-dimethoxy-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]benzamide
CID 91966844
6-cyclopentyloxy-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]pyridine-3-carboxamide
CID 122318605
N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]benzamide
CID 91966835
6-methoxy-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]pyridine-3-carboxamide
CID 122318877
N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]-4-pentoxybenzamide
CID 122319112
N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]pyrimidine-2-carboxamide
CID 91966875
2-cyclopentyl-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]acetamide
CID 122319033
N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]cyclopropanecarboxamide
CID 71807461
2,4-dimethyl-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]benzamide
CID 91966839
N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]oxolane-2-carboxamide
CID 121137175
N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 122317863

Frequently Asked Questions

What is the IUPAC name of 6-cyclopentyloxy-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]pyridine-3-carboxamide?
The IUPAC name of 6-cyclopentyloxy-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]pyridine-3-carboxamide (CID 122319156) is 6-cyclopentyloxy-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-cyclopentyloxy-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 6-cyclopentyloxy-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]pyridine-3-carboxamide is Cc1cc(N2CCOCC2)nc(CNC(=O)c2ccc(OC3CCCC3)nc2)n1.
What is the InChIKey of 6-cyclopentyloxy-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]pyridine-3-carboxamide?
The InChIKey is ULQFSBCUCOPPIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O3/c1-15-12-19(26-8-10-28-11-9-26)25-18(24-15)14-23-21(27)16-6-7-20(22-13-16)29-17-4-2-3-5-17/h6-7,12-13,17H,2-5,8-11,14H2,1H3,(H,23,27).
What are the key properties of 6-cyclopentyloxy-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]pyridine-3-carboxamide?
6-cyclopentyloxy-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]pyridine-3-carboxamide has a molecular weight of 397.48 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopentyloxy-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 122319156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).