2-(cyclopentylamino)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidine-5-carboxamide

C22H29N5O — CID 109249860

IUPAC2-(cyclopentylamino)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidine-5-carboxamide
SMILESCC1CCN(c2ccc(NC(=O)c3cnc(NC4CCCC4)nc3)cc2)CC1
InChIInChI=1S/C22H29N5O/c1-16-10-12-27(13-11-16)20-8-6-19(7-9-20)25-21(28)17-14-23-22(24-15-17)26-18-4-2-3-5-18/h6-9,14-16,18H,2-5,10-13H2,1H3,(H,25,28)(H,23,24,26)
InChIKeyYTPPBVAZRBOELL-UHFFFAOYSA-N
MW379.51 g/mol
LogP4.32
Rot. Bonds5

About 2-(cyclopentylamino)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidine-5-carboxamide

2-(cyclopentylamino)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidine-5-carboxamide (PubChem CID 109249860) has the molecular formula C22H29N5O and a molecular weight of 379.51 g/mol. Its IUPAC name is 2-(cyclopentylamino)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(cyclopentylamino)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidine-5-carboxamide
PubChem CID109249860
Molecular FormulaC22H29N5O
Molecular Weight379.51 g/mol
Exact Mass379.24
IUPAC Name2-(cyclopentylamino)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidine-5-carboxamide
SMILESCC1CCN(c2ccc(NC(=O)c3cnc(NC4CCCC4)nc3)cc2)CC1
InChIInChI=1S/C22H29N5O/c1-16-10-12-27(13-11-16)20-8-6-19(7-9-20)25-21(28)17-14-23-22(24-15-17)26-18-4-2-3-5-18/h6-9,14-16,18H,2-5,10-13H2,1H3,(H,25,28)(H,23,24,26)
InChIKeyYTPPBVAZRBOELL-UHFFFAOYSA-N
XLogP4.32
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.51
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-(3-methylbutylamino)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidine-5-carboxamide
CID 109263588
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(4-methylpiperidin-1-yl)pyrimidine-5-carboxamide
CID 109250972
2-[(5-methyl-1,2-oxazol-3-yl)amino]-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidine-5-carboxamide
CID 109270345
2-(cyclopropylamino)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidine-4-carboxamide
CID 109295672
1-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrazole-4-carboxamide
CID 9303499
2-(cycloheptylamino)-N-(4-propan-2-ylphenyl)pyrimidine-5-carboxamide
CID 109263206
2-(tert-butylamino)-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-5-carboxamide
CID 109263034
N-(4-cyanophenyl)-2-(cyclohexylamino)pyrimidine-5-carboxamide
CID 109250637
N-[4-(4-methylpiperidin-1-yl)phenyl]-6-(2-methylpropylamino)pyridine-3-carboxamide
CID 109151851
[2-(cycloheptylamino)pyrimidin-5-yl]-(4-methylpiperidin-1-yl)methanone
CID 109250708
6-(cyclopropylamino)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyridazine-3-carboxamide
CID 109109946
N-[4-(4-methylpiperidin-1-yl)phenyl]thiophene-3-carboxamide
CID 9303445

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylamino)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidine-5-carboxamide?
The IUPAC name of 2-(cyclopentylamino)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidine-5-carboxamide (CID 109249860) is 2-(cyclopentylamino)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(cyclopentylamino)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-(cyclopentylamino)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidine-5-carboxamide is CC1CCN(c2ccc(NC(=O)c3cnc(NC4CCCC4)nc3)cc2)CC1.
What is the InChIKey of 2-(cyclopentylamino)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidine-5-carboxamide?
The InChIKey is YTPPBVAZRBOELL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O/c1-16-10-12-27(13-11-16)20-8-6-19(7-9-20)25-21(28)17-14-23-22(24-15-17)26-18-4-2-3-5-18/h6-9,14-16,18H,2-5,10-13H2,1H3,(H,25,28)(H,23,24,26).
What are the key properties of 2-(cyclopentylamino)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidine-5-carboxamide?
2-(cyclopentylamino)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidine-5-carboxamide has a molecular weight of 379.51 g/mol, XLogP of 4.32, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylamino)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 109249860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).