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

C15H22FN5O — CID 169149196

IUPAC5-[4-(3-fluoropyrrolidin-1-yl)piperidin-1-yl]-N-methylpyrimidine-2-carboxamide
SMILESCNC(=O)c1ncc(N2CCC(N3CCC(F)C3)CC2)cn1
InChIInChI=1S/C15H22FN5O/c1-17-15(22)14-18-8-13(9-19-14)20-6-3-12(4-7-20)21-5-2-11(16)10-21/h8-9,11-12H,2-7,10H2,1H3,(H,17,22)
InChIKeyDWICOAAPNFISTD-UHFFFAOYSA-N
MW307.37 g/mol
LogP0.85
Rot. Bonds3

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

5-[4-(3-fluoropyrrolidin-1-yl)piperidin-1-yl]-N-methylpyrimidine-2-carboxamide (PubChem CID 169149196) has the molecular formula C15H22FN5O and a molecular weight of 307.37 g/mol. Its IUPAC name is 5-[4-(3-fluoropyrrolidin-1-yl)piperidin-1-yl]-N-methylpyrimidine-2-carboxamide.

Molecular Properties

Compound Name5-[4-(3-fluoropyrrolidin-1-yl)piperidin-1-yl]-N-methylpyrimidine-2-carboxamide
PubChem CID169149196
Molecular FormulaC15H22FN5O
Molecular Weight307.37 g/mol
Exact Mass307.18
IUPAC Name5-[4-(3-fluoropyrrolidin-1-yl)piperidin-1-yl]-N-methylpyrimidine-2-carboxamide
SMILESCNC(=O)c1ncc(N2CCC(N3CCC(F)C3)CC2)cn1
InChIInChI=1S/C15H22FN5O/c1-17-15(22)14-18-8-13(9-19-14)20-6-3-12(4-7-20)21-5-2-11(16)10-21/h8-9,11-12H,2-7,10H2,1H3,(H,17,22)
InChIKeyDWICOAAPNFISTD-UHFFFAOYSA-N
XLogP0.85
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[4-(3-tert-butylpyrrolidin-1-yl)piperidin-1-yl]-3-fluoro-N-methylpyridine-2-carboxamide
CID 176748212
4-[4-(3-fluoropyrrolidin-1-yl)piperidin-1-yl]-N-methylaniline
CID 169149133
5-[4-(3-tert-butyl-3-fluoropyrrolidin-1-yl)piperidin-1-yl]-N-methylpyridine-2-carboxamide
CID 176748323
5-[4-(3-tert-butylpyrrolidin-1-yl)piperidin-1-yl]-N,4-dimethylpyrimidine-2-carboxamide
CID 176748256
5-[4-(4-tert-butylpiperidin-1-yl)piperidin-1-yl]-N-methylpyridine-2-carboxamide
CID 176748280
5-[4-[3-(2,2-dimethylpropyl)piperidin-1-yl]piperidin-1-yl]-N-methylpyridine-2-carboxamide
CID 176748206
2-[4-(3-tert-butylpyrrolidin-1-yl)piperidin-1-yl]-N-methylpyrimidine-5-carboxamide
CID 176748307
4-[4-(3-tert-butylpyrrolidin-1-yl)piperidin-1-yl]-N-methylbenzamide
CID 176748270
4-[4-(3-fluoropyrrolidin-1-yl)piperidin-1-yl]aniline;methanethiol
CID 169149047
N-methyl-5-[4-[3-[6-oxo-5-(trifluoromethyl)-1H-pyrimidin-2-yl]piperidin-1-yl]piperidin-1-yl]pyridine-2-carboxamide
CID 169148771
5-[4-(1-tert-butyl-3-azabicyclo[3.1.0]hexan-3-yl)piperidin-1-yl]-N-methylpyridine-2-carboxamide
CID 176748312
N-methyl-5-[4-[3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-3-yl)pyrrolidin-1-yl]piperidin-1-yl]pyridine-2-carboxamide
CID 176689658

Frequently Asked Questions

What is the IUPAC name of 5-[4-(3-fluoropyrrolidin-1-yl)piperidin-1-yl]-N-methylpyrimidine-2-carboxamide?
The IUPAC name of 5-[4-(3-fluoropyrrolidin-1-yl)piperidin-1-yl]-N-methylpyrimidine-2-carboxamide (CID 169149196) is 5-[4-(3-fluoropyrrolidin-1-yl)piperidin-1-yl]-N-methylpyrimidine-2-carboxamide.
What is the SMILES notation for 5-[4-(3-fluoropyrrolidin-1-yl)piperidin-1-yl]-N-methylpyrimidine-2-carboxamide?
The canonical SMILES for 5-[4-(3-fluoropyrrolidin-1-yl)piperidin-1-yl]-N-methylpyrimidine-2-carboxamide is CNC(=O)c1ncc(N2CCC(N3CCC(F)C3)CC2)cn1.
What is the InChIKey of 5-[4-(3-fluoropyrrolidin-1-yl)piperidin-1-yl]-N-methylpyrimidine-2-carboxamide?
The InChIKey is DWICOAAPNFISTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN5O/c1-17-15(22)14-18-8-13(9-19-14)20-6-3-12(4-7-20)21-5-2-11(16)10-21/h8-9,11-12H,2-7,10H2,1H3,(H,17,22).
What are the key properties of 5-[4-(3-fluoropyrrolidin-1-yl)piperidin-1-yl]-N-methylpyrimidine-2-carboxamide?
5-[4-(3-fluoropyrrolidin-1-yl)piperidin-1-yl]-N-methylpyrimidine-2-carboxamide has a molecular weight of 307.37 g/mol, XLogP of 0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(3-fluoropyrrolidin-1-yl)piperidin-1-yl]-N-methylpyrimidine-2-carboxamide is sourced from PubChem (CID 169149196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).