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

C19H31N5O — CID 176748307

IUPAC2-[4-(3-tert-butylpyrrolidin-1-yl)piperidin-1-yl]-N-methylpyrimidine-5-carboxamide
SMILESCNC(=O)c1cnc(N2CCC(N3CCC(C(C)(C)C)C3)CC2)nc1
InChIInChI=1S/C19H31N5O/c1-19(2,3)15-5-8-24(13-15)16-6-9-23(10-7-16)18-21-11-14(12-22-18)17(25)20-4/h11-12,15-16H,5-10,13H2,1-4H3,(H,20,25)
InChIKeyAFXHLYAEXNOJOE-UHFFFAOYSA-N
MW345.49 g/mol
LogP2.17
Rot. Bonds3

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

2-[4-(3-tert-butylpyrrolidin-1-yl)piperidin-1-yl]-N-methylpyrimidine-5-carboxamide (PubChem CID 176748307) has the molecular formula C19H31N5O and a molecular weight of 345.49 g/mol. Its IUPAC name is 2-[4-(3-tert-butylpyrrolidin-1-yl)piperidin-1-yl]-N-methylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[4-(3-tert-butylpyrrolidin-1-yl)piperidin-1-yl]-N-methylpyrimidine-5-carboxamide
PubChem CID176748307
Molecular FormulaC19H31N5O
Molecular Weight345.49 g/mol
Exact Mass345.25
IUPAC Name2-[4-(3-tert-butylpyrrolidin-1-yl)piperidin-1-yl]-N-methylpyrimidine-5-carboxamide
SMILESCNC(=O)c1cnc(N2CCC(N3CCC(C(C)(C)C)C3)CC2)nc1
InChIInChI=1S/C19H31N5O/c1-19(2,3)15-5-8-24(13-15)16-6-9-23(10-7-16)18-21-11-14(12-22-18)17(25)20-4/h11-12,15-16H,5-10,13H2,1-4H3,(H,20,25)
InChIKeyAFXHLYAEXNOJOE-UHFFFAOYSA-N
XLogP2.17
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(3-tert-butylpyrrolidin-1-yl)piperidin-1-yl]-N-methylbenzamide
CID 176748270
5-[4-(3-tert-butylpyrrolidin-1-yl)piperidin-1-yl]-N,4-dimethylpyrimidine-2-carboxamide
CID 176748256
5-[4-(3-tert-butylpyrrolidin-1-yl)piperidin-1-yl]-3-fluoro-N-methylpyridine-2-carboxamide
CID 176748212
5-[4-(3-tert-butylpyrrolidin-1-yl)piperidin-1-yl]-6-chloro-N-methylpyridine-2-carboxamide
CID 176748271
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-butylpiperidin-1-yl)piperidin-1-yl]-6-chloro-N-methylpyridine-2-carboxamide
CID 176748297
2-(3,8-diazabicyclo[3.2.1]octan-3-yl)-N-methylpyrimidine-5-carboxamide;dihydrochloride
CID 168994577
5-[4-(3-fluoropyrrolidin-1-yl)piperidin-1-yl]-N-methylpyrimidine-2-carboxamide
CID 169149196
2-(4-hydroxypiperidin-1-yl)pyrimidine-5-carboxylic acid
CID 53415565
2-[4-(7-chloro-1-methyl-2,3-dioxopyrido[2,3-b]pyrazin-4-yl)piperidin-1-yl]-N-methylpyrimidine-5-carboxamide
CID 170344673
2-(4-tert-butylpiperidin-1-yl)pyrimidine-5-carbaldehyde
CID 113387655

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-tert-butylpyrrolidin-1-yl)piperidin-1-yl]-N-methylpyrimidine-5-carboxamide?
The IUPAC name of 2-[4-(3-tert-butylpyrrolidin-1-yl)piperidin-1-yl]-N-methylpyrimidine-5-carboxamide (CID 176748307) is 2-[4-(3-tert-butylpyrrolidin-1-yl)piperidin-1-yl]-N-methylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-[4-(3-tert-butylpyrrolidin-1-yl)piperidin-1-yl]-N-methylpyrimidine-5-carboxamide?
The canonical SMILES for 2-[4-(3-tert-butylpyrrolidin-1-yl)piperidin-1-yl]-N-methylpyrimidine-5-carboxamide is CNC(=O)c1cnc(N2CCC(N3CCC(C(C)(C)C)C3)CC2)nc1.
What is the InChIKey of 2-[4-(3-tert-butylpyrrolidin-1-yl)piperidin-1-yl]-N-methylpyrimidine-5-carboxamide?
The InChIKey is AFXHLYAEXNOJOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O/c1-19(2,3)15-5-8-24(13-15)16-6-9-23(10-7-16)18-21-11-14(12-22-18)17(25)20-4/h11-12,15-16H,5-10,13H2,1-4H3,(H,20,25).
What are the key properties of 2-[4-(3-tert-butylpyrrolidin-1-yl)piperidin-1-yl]-N-methylpyrimidine-5-carboxamide?
2-[4-(3-tert-butylpyrrolidin-1-yl)piperidin-1-yl]-N-methylpyrimidine-5-carboxamide has a molecular weight of 345.49 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-tert-butylpyrrolidin-1-yl)piperidin-1-yl]-N-methylpyrimidine-5-carboxamide is sourced from PubChem (CID 176748307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).