5-chloro-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2-morpholin-4-ylpyrimidine-4-carboxamide

C20H24ClN5O3 — CID 47047177

IUPAC5-chloro-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2-morpholin-4-ylpyrimidine-4-carboxamide
SMILESO=C(NCc1cccnc1OC1CCCC1)c1nc(N2CCOCC2)ncc1Cl
InChIInChI=1S/C20H24ClN5O3/c21-16-13-24-20(26-8-10-28-11-9-26)25-17(16)18(27)23-12-14-4-3-7-22-19(14)29-15-5-1-2-6-15/h3-4,7,13,15H,1-2,5-6,8-12H2,(H,23,27)
InChIKeyYWJCLXNXOAZHCU-UHFFFAOYSA-N
MW417.90 g/mol
LogP2.61
Rot. Bonds6

About 5-chloro-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2-morpholin-4-ylpyrimidine-4-carboxamide

5-chloro-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2-morpholin-4-ylpyrimidine-4-carboxamide (PubChem CID 47047177) has the molecular formula C20H24ClN5O3 and a molecular weight of 417.90 g/mol. Its IUPAC name is 5-chloro-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2-morpholin-4-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2-morpholin-4-ylpyrimidine-4-carboxamide
PubChem CID47047177
Molecular FormulaC20H24ClN5O3
Molecular Weight417.90 g/mol
Exact Mass417.16
IUPAC Name5-chloro-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2-morpholin-4-ylpyrimidine-4-carboxamide
SMILESO=C(NCc1cccnc1OC1CCCC1)c1nc(N2CCOCC2)ncc1Cl
InChIInChI=1S/C20H24ClN5O3/c21-16-13-24-20(26-8-10-28-11-9-26)25-17(16)18(27)23-12-14-4-3-7-22-19(14)29-15-5-1-2-6-15/h3-4,7,13,15H,1-2,5-6,8-12H2,(H,23,27)
InChIKeyYWJCLXNXOAZHCU-UHFFFAOYSA-N
XLogP2.61
TPSA89.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.90
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-chloro-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2-morpholin-4-ylpyrimidine-4-carboxamide with MolForge

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Related Compounds

3-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-(1,2-dimethylpiperidin-4-yl)-1-methylurea
CID 166217164
N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-2-[(3R)-thiolan-3-yl]oxypyridine-3-carboxamide
CID 124841947
N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2,3-dimethylbenzamide
CID 47029217
N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2-[(2S)-oxolan-2-yl]acetamide
CID 94026468
3-bromo-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]benzamide
CID 46434206
N-[(2-cyclopentyloxy-3-pyridinyl)methyl]quinoline-5-carboxamide
CID 71896675
N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
CID 119044376
5-chloro-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 47044623
N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-ethyl-4-oxophthalazine-1-carboxamide
CID 55659910
4-(4-chlorophenyl)-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-4-oxobutanamide
CID 55679215
N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 47029191
N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide
CID 111726385

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2-morpholin-4-ylpyrimidine-4-carboxamide?
The IUPAC name of 5-chloro-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2-morpholin-4-ylpyrimidine-4-carboxamide (CID 47047177) is 5-chloro-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2-morpholin-4-ylpyrimidine-4-carboxamide.
What is the SMILES notation for 5-chloro-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2-morpholin-4-ylpyrimidine-4-carboxamide?
The canonical SMILES for 5-chloro-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2-morpholin-4-ylpyrimidine-4-carboxamide is O=C(NCc1cccnc1OC1CCCC1)c1nc(N2CCOCC2)ncc1Cl.
What is the InChIKey of 5-chloro-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2-morpholin-4-ylpyrimidine-4-carboxamide?
The InChIKey is YWJCLXNXOAZHCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN5O3/c21-16-13-24-20(26-8-10-28-11-9-26)25-17(16)18(27)23-12-14-4-3-7-22-19(14)29-15-5-1-2-6-15/h3-4,7,13,15H,1-2,5-6,8-12H2,(H,23,27).
What are the key properties of 5-chloro-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2-morpholin-4-ylpyrimidine-4-carboxamide?
5-chloro-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2-morpholin-4-ylpyrimidine-4-carboxamide has a molecular weight of 417.90 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2-morpholin-4-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 47047177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).