N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-3,5-bis(trifluoromethyl)benzamide

C19H18F6N4O — CID 90546104

IUPACN-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-3,5-bis(trifluoromethyl)benzamide
SMILESCC1CCN(c2cc(NC(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)ncn2)CC1
InChIInChI=1S/C19H18F6N4O/c1-11-2-4-29(5-3-11)16-9-15(26-10-27-16)28-17(30)12-6-13(18(20,21)22)8-14(7-12)19(23,24)25/h6-11H,2-5H2,1H3,(H,26,27,28,30)
InChIKeyHDZKBWGBUBVUHY-UHFFFAOYSA-N
MW432.37 g/mol
LogP5.00
Rot. Bonds3

About N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-3,5-bis(trifluoromethyl)benzamide

N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-3,5-bis(trifluoromethyl)benzamide (PubChem CID 90546104) has the molecular formula C19H18F6N4O and a molecular weight of 432.37 g/mol. Its IUPAC name is N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-3,5-bis(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-3,5-bis(trifluoromethyl)benzamide
PubChem CID90546104
Molecular FormulaC19H18F6N4O
Molecular Weight432.37 g/mol
Exact Mass432.14
IUPAC NameN-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-3,5-bis(trifluoromethyl)benzamide
SMILESCC1CCN(c2cc(NC(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)ncn2)CC1
InChIInChI=1S/C19H18F6N4O/c1-11-2-4-29(5-3-11)16-9-15(26-10-27-16)28-17(30)12-6-13(18(20,21)22)8-14(7-12)19(23,24)25/h6-11H,2-5H2,1H3,(H,26,27,28,30)
InChIKeyHDZKBWGBUBVUHY-UHFFFAOYSA-N
XLogP5.00
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.37
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-4-(trifluoromethyl)benzamide
CID 90546033
4-chloro-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]benzamide
CID 90545984
N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-4-phenylbenzamide
CID 90545933
N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]pyrazine-2-carboxamide
CID 90546125
2-iodo-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]benzamide
CID 90545945
N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]-4-(trifluoromethyl)benzamide
CID 90545273
3-methoxy-2-methyl-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]indazole-6-carboxamide
CID 90546179
5-cyclopropyl-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-1,2-oxazole-3-carboxamide
CID 90546182
5-bromo-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]furan-2-carboxamide
CID 90546108
4-[[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]amino]benzoic acid
CID 113192856
2-(4-methylphenyl)-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]acetamide
CID 90546048
N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-2-pyrazol-1-ylacetamide
CID 90546153

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-3,5-bis(trifluoromethyl)benzamide?
The IUPAC name of N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-3,5-bis(trifluoromethyl)benzamide (CID 90546104) is N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-3,5-bis(trifluoromethyl)benzamide.
What is the SMILES notation for N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-3,5-bis(trifluoromethyl)benzamide?
The canonical SMILES for N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-3,5-bis(trifluoromethyl)benzamide is CC1CCN(c2cc(NC(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)ncn2)CC1.
What is the InChIKey of N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-3,5-bis(trifluoromethyl)benzamide?
The InChIKey is HDZKBWGBUBVUHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F6N4O/c1-11-2-4-29(5-3-11)16-9-15(26-10-27-16)28-17(30)12-6-13(18(20,21)22)8-14(7-12)19(23,24)25/h6-11H,2-5H2,1H3,(H,26,27,28,30).
What are the key properties of N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-3,5-bis(trifluoromethyl)benzamide?
N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-3,5-bis(trifluoromethyl)benzamide has a molecular weight of 432.37 g/mol, XLogP of 5.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-3,5-bis(trifluoromethyl)benzamide is sourced from PubChem (CID 90546104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).