N-[1-(morpholin-4-ylmethyl)cyclopentyl]-4-pyrimidin-2-ylbenzamide

C21H26N4O2 — CID 118785028

IUPACN-[1-(morpholin-4-ylmethyl)cyclopentyl]-4-pyrimidin-2-ylbenzamide
SMILESO=C(NC1(CN2CCOCC2)CCCC1)c1ccc(-c2ncccn2)cc1
InChIInChI=1S/C21H26N4O2/c26-20(18-6-4-17(5-7-18)19-22-10-3-11-23-19)24-21(8-1-2-9-21)16-25-12-14-27-15-13-25/h3-7,10-11H,1-2,8-9,12-16H2,(H,24,26)
InChIKeyMYGVQWYCPFYGQD-UHFFFAOYSA-N
MW366.46 g/mol
LogP2.52
Rot. Bonds5

About N-[1-(morpholin-4-ylmethyl)cyclopentyl]-4-pyrimidin-2-ylbenzamide

N-[1-(morpholin-4-ylmethyl)cyclopentyl]-4-pyrimidin-2-ylbenzamide (PubChem CID 118785028) has the molecular formula C21H26N4O2 and a molecular weight of 366.46 g/mol. Its IUPAC name is N-[1-(morpholin-4-ylmethyl)cyclopentyl]-4-pyrimidin-2-ylbenzamide.

Molecular Properties

Compound NameN-[1-(morpholin-4-ylmethyl)cyclopentyl]-4-pyrimidin-2-ylbenzamide
PubChem CID118785028
Molecular FormulaC21H26N4O2
Molecular Weight366.46 g/mol
Exact Mass366.21
IUPAC NameN-[1-(morpholin-4-ylmethyl)cyclopentyl]-4-pyrimidin-2-ylbenzamide
SMILESO=C(NC1(CN2CCOCC2)CCCC1)c1ccc(-c2ncccn2)cc1
InChIInChI=1S/C21H26N4O2/c26-20(18-6-4-17(5-7-18)19-22-10-3-11-23-19)24-21(8-1-2-9-21)16-25-12-14-27-15-13-25/h3-7,10-11H,1-2,8-9,12-16H2,(H,24,26)
InChIKeyMYGVQWYCPFYGQD-UHFFFAOYSA-N
XLogP2.52
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-hydroxy-2-pyridinyl)-N-[1-(morpholin-4-ylmethyl)cyclopentyl]benzamide
CID 119073818
N-[1-(morpholin-4-ylmethyl)cyclopentyl]-4-[(3S)-piperidin-3-yl]benzamide
CID 97204061
1-(2-hydroxyethyl)-N-[1-(morpholin-4-ylmethyl)cyclopentyl]benzimidazole-5-carboxamide
CID 74232760
4-(6-amino-2-pyridinyl)-N-[1-(pyrrolidin-1-ylmethyl)cyclohexyl]benzamide
CID 119062564
4-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[1-(2-oxa-7-azaspiro[3.5]nonan-7-ylmethyl)cyclopropyl]benzamide
CID 122694001
1-(1-methyl-4-phenylpyrazol-5-yl)-3-[1-(morpholin-4-ylmethyl)cyclopentyl]urea
CID 72873567
5-fluoro-1-methyl-N-[1-(morpholin-4-ylmethyl)cyclopentyl]indole-2-carboxamide
CID 77095932
N-[1-[(4-ethylpiperidin-1-yl)methyl]cyclohexyl]benzamide
CID 57179371
1-[1-(morpholin-4-ylmethyl)cyclopentyl]-3-[2-[(2S)-pentan-2-yl]pyrazol-3-yl]urea
CID 125172155
(2R,4R)-9-(5-chloro-2-pyridinyl)-N-[1-(morpholin-4-ylmethyl)cyclopentyl]-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide
CID 123535101
(2R)-2-(4-fluorophenyl)-N-[1-(morpholin-4-ylmethyl)cyclohexyl]azetidine-1-carboxamide
CID 125438422
4-isoquinolin-1-yl-N-(2-morpholin-4-ylethyl)benzamide
CID 57383478

Frequently Asked Questions

What is the IUPAC name of N-[1-(morpholin-4-ylmethyl)cyclopentyl]-4-pyrimidin-2-ylbenzamide?
The IUPAC name of N-[1-(morpholin-4-ylmethyl)cyclopentyl]-4-pyrimidin-2-ylbenzamide (CID 118785028) is N-[1-(morpholin-4-ylmethyl)cyclopentyl]-4-pyrimidin-2-ylbenzamide.
What is the SMILES notation for N-[1-(morpholin-4-ylmethyl)cyclopentyl]-4-pyrimidin-2-ylbenzamide?
The canonical SMILES for N-[1-(morpholin-4-ylmethyl)cyclopentyl]-4-pyrimidin-2-ylbenzamide is O=C(NC1(CN2CCOCC2)CCCC1)c1ccc(-c2ncccn2)cc1.
What is the InChIKey of N-[1-(morpholin-4-ylmethyl)cyclopentyl]-4-pyrimidin-2-ylbenzamide?
The InChIKey is MYGVQWYCPFYGQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c26-20(18-6-4-17(5-7-18)19-22-10-3-11-23-19)24-21(8-1-2-9-21)16-25-12-14-27-15-13-25/h3-7,10-11H,1-2,8-9,12-16H2,(H,24,26).
What are the key properties of N-[1-(morpholin-4-ylmethyl)cyclopentyl]-4-pyrimidin-2-ylbenzamide?
N-[1-(morpholin-4-ylmethyl)cyclopentyl]-4-pyrimidin-2-ylbenzamide has a molecular weight of 366.46 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(morpholin-4-ylmethyl)cyclopentyl]-4-pyrimidin-2-ylbenzamide is sourced from PubChem (CID 118785028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).