5-[4-(3-tert-butylpyrrolidin-1-yl)piperidin-1-yl]-N,4-dimethylpyrimidine-2-carboxamide

C20H33N5O — CID 176748256

IUPAC5-[4-(3-tert-butylpyrrolidin-1-yl)piperidin-1-yl]-N,4-dimethylpyrimidine-2-carboxamide
SMILESCNC(=O)c1ncc(N2CCC(N3CCC(C(C)(C)C)C3)CC2)c(C)n1
InChIInChI=1S/C20H33N5O/c1-14-17(12-22-18(23-14)19(26)21-5)24-10-7-16(8-11-24)25-9-6-15(13-25)20(2,3)4/h12,15-16H,6-11,13H2,1-5H3,(H,21,26)
InChIKeyBXNBKEUBRLCPEK-UHFFFAOYSA-N
MW359.52 g/mol
LogP2.48
Rot. Bonds3

About 5-[4-(3-tert-butylpyrrolidin-1-yl)piperidin-1-yl]-N,4-dimethylpyrimidine-2-carboxamide

5-[4-(3-tert-butylpyrrolidin-1-yl)piperidin-1-yl]-N,4-dimethylpyrimidine-2-carboxamide (PubChem CID 176748256) has the molecular formula C20H33N5O and a molecular weight of 359.52 g/mol. Its IUPAC name is 5-[4-(3-tert-butylpyrrolidin-1-yl)piperidin-1-yl]-N,4-dimethylpyrimidine-2-carboxamide.

Molecular Properties

Compound Name5-[4-(3-tert-butylpyrrolidin-1-yl)piperidin-1-yl]-N,4-dimethylpyrimidine-2-carboxamide
PubChem CID176748256
Molecular FormulaC20H33N5O
Molecular Weight359.52 g/mol
Exact Mass359.27
IUPAC Name5-[4-(3-tert-butylpyrrolidin-1-yl)piperidin-1-yl]-N,4-dimethylpyrimidine-2-carboxamide
SMILESCNC(=O)c1ncc(N2CCC(N3CCC(C(C)(C)C)C3)CC2)c(C)n1
InChIInChI=1S/C20H33N5O/c1-14-17(12-22-18(23-14)19(26)21-5)24-10-7-16(8-11-24)25-9-6-15(13-25)20(2,3)4/h12,15-16H,6-11,13H2,1-5H3,(H,21,26)
InChIKeyBXNBKEUBRLCPEK-UHFFFAOYSA-N
XLogP2.48
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.52
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(3-tert-butylpyrrolidin-1-yl)piperidin-1-yl]-N-methylpyrimidine-5-carboxamide
CID 176748307
5-[4-(3-tert-butylpyrrolidin-1-yl)piperidin-1-yl]-6-chloro-N-methylpyridine-2-carboxamide
CID 176748271
4-[4-(3-tert-butylpyrrolidin-1-yl)piperidin-1-yl]-N-methylbenzamide
CID 176748270
5-[4-(3-tert-butylpyrrolidin-1-yl)piperidin-1-yl]-3-fluoro-N-methylpyridine-2-carboxamide
CID 176748212
5-[4-(3-tert-butylpiperidin-1-yl)piperidin-1-yl]-6-chloro-N-methylpyridine-2-carboxamide
CID 176748297
5-[4-(3-fluoropyrrolidin-1-yl)piperidin-1-yl]-N-methylpyrimidine-2-carboxamide
CID 169149196
5-[4-(4-tert-butylpiperidin-1-yl)piperidin-1-yl]-N-methylpyridine-2-carboxamide
CID 176748280
5-[4-(3-tert-butylpyrrolidin-1-yl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
CID 176748242
5-[4-(3-tert-butyl-3-fluoropyrrolidin-1-yl)piperidin-1-yl]-N-methylpyridine-2-carboxamide
CID 176748323
5-[4-[3-(2,2-dimethylpropyl)piperidin-1-yl]piperidin-1-yl]-N-methylpyridine-2-carboxamide
CID 176748206
5-[4-[3-(7-fluoro-1-oxo-2H-isoquinolin-3-yl)pyrrolidin-1-yl]piperidin-1-yl]-N-methyl-4-(trifluoromethyl)pyridine-2-carboxamide
CID 169149111
2-(3-tert-butylpyrrolidin-1-yl)-6-methylpyrimidine-4-carboxylic acid
CID 107554334

Frequently Asked Questions

What is the IUPAC name of 5-[4-(3-tert-butylpyrrolidin-1-yl)piperidin-1-yl]-N,4-dimethylpyrimidine-2-carboxamide?
The IUPAC name of 5-[4-(3-tert-butylpyrrolidin-1-yl)piperidin-1-yl]-N,4-dimethylpyrimidine-2-carboxamide (CID 176748256) is 5-[4-(3-tert-butylpyrrolidin-1-yl)piperidin-1-yl]-N,4-dimethylpyrimidine-2-carboxamide.
What is the SMILES notation for 5-[4-(3-tert-butylpyrrolidin-1-yl)piperidin-1-yl]-N,4-dimethylpyrimidine-2-carboxamide?
The canonical SMILES for 5-[4-(3-tert-butylpyrrolidin-1-yl)piperidin-1-yl]-N,4-dimethylpyrimidine-2-carboxamide is CNC(=O)c1ncc(N2CCC(N3CCC(C(C)(C)C)C3)CC2)c(C)n1.
What is the InChIKey of 5-[4-(3-tert-butylpyrrolidin-1-yl)piperidin-1-yl]-N,4-dimethylpyrimidine-2-carboxamide?
The InChIKey is BXNBKEUBRLCPEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N5O/c1-14-17(12-22-18(23-14)19(26)21-5)24-10-7-16(8-11-24)25-9-6-15(13-25)20(2,3)4/h12,15-16H,6-11,13H2,1-5H3,(H,21,26).
What are the key properties of 5-[4-(3-tert-butylpyrrolidin-1-yl)piperidin-1-yl]-N,4-dimethylpyrimidine-2-carboxamide?
5-[4-(3-tert-butylpyrrolidin-1-yl)piperidin-1-yl]-N,4-dimethylpyrimidine-2-carboxamide has a molecular weight of 359.52 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(3-tert-butylpyrrolidin-1-yl)piperidin-1-yl]-N,4-dimethylpyrimidine-2-carboxamide is sourced from PubChem (CID 176748256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).