[4-[(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone

C17H18F3N5O2 — CID 126887940

IUPAC[4-[(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone
SMILESCOc1cc(NC2CCN(C(=O)c3ccc(C(F)(F)F)nc3)CC2)ncn1
InChIInChI=1S/C17H18F3N5O2/c1-27-15-8-14(22-10-23-15)24-12-4-6-25(7-5-12)16(26)11-2-3-13(21-9-11)17(18,19)20/h2-3,8-10,12H,4-7H2,1H3,(H,22,23,24)
InChIKeyDPSSGEGWDMYRGP-UHFFFAOYSA-N
MW381.36 g/mol
LogP2.62
Rot. Bonds4

About [4-[(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone

[4-[(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone (PubChem CID 126887940) has the molecular formula C17H18F3N5O2 and a molecular weight of 381.36 g/mol. Its IUPAC name is [4-[(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone.

Molecular Properties

Compound Name[4-[(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone
PubChem CID126887940
Molecular FormulaC17H18F3N5O2
Molecular Weight381.36 g/mol
Exact Mass381.14
IUPAC Name[4-[(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone
SMILESCOc1cc(NC2CCN(C(=O)c3ccc(C(F)(F)F)nc3)CC2)ncn1
InChIInChI=1S/C17H18F3N5O2/c1-27-15-8-14(22-10-23-15)24-12-4-6-25(7-5-12)16(26)11-2-3-13(21-9-11)17(18,19)20/h2-3,8-10,12H,4-7H2,1H3,(H,22,23,24)
InChIKeyDPSSGEGWDMYRGP-UHFFFAOYSA-N
XLogP2.62
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.36
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [4-[(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone with MolForge

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Related Compounds

4-(4,6-Dimethoxypyrimidin-2-yl)-7-(trifluoromethyl)-4H-2,6-naphthyridine-1,3-dione
CID 139594541
[4-(4-Methoxy-pyridin-2-ylamino)-piperidin-1-yl]-phenyl-methanone
CID 11426929
[3-[6-[(4-Methoxy-2-pyridinyl)amino]-2-methylpyrimidin-4-yl]piperidin-1-yl]-phenylmethanone
CID 118725469
N-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]-N-methyl-7-oxo-6-prop-2-enyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
CID 121338401
4-methoxy-2-[(1-methylpiperidin-4-yl)amino]-N-[2-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]pyrimidine-5-carboxamide
CID 44454703
5-[[4-[(4-Methoxy-2-pyridinyl)amino]-1-piperidinyl]carbonyl]-2-pyridinecarbonitrile
CID 56659435
[5-[[4-(Ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-4-methoxy-2-pyridinyl]-morpholin-4-ylmethanone
CID 71451849
N-[2,2-difluoro-2-[3-(2-methoxypyrimidin-5-yl)-2-pyridinyl]ethyl]-6-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide
CID 71460109
N-[1-(6-methoxy-2-methylpyrimidin-4-yl)piperidin-4-yl]-N-methyl-7-oxo-6-prop-2-enyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
CID 137647885
2-Amino-6-(6-methoxypyridin-3-yl)-4-methyl-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one
CID 59258820
8-Cyclopentyl-2-(ethylamino)-6-(6-methoxy-3-pyridinyl)-4-methylpyrido[2,3-d]pyrimidin-7-one
CID 59258906
6-Methyl-5-(pyrimidin-5-yl)-N-(4-(trifluoromethoxy)phenyl)nicotinamide
CID 72203419

Frequently Asked Questions

What is the IUPAC name of [4-[(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone?
The IUPAC name of [4-[(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone (CID 126887940) is [4-[(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone.
What is the SMILES notation for [4-[(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone?
The canonical SMILES for [4-[(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone is COc1cc(NC2CCN(C(=O)c3ccc(C(F)(F)F)nc3)CC2)ncn1.
What is the InChIKey of [4-[(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone?
The InChIKey is DPSSGEGWDMYRGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N5O2/c1-27-15-8-14(22-10-23-15)24-12-4-6-25(7-5-12)16(26)11-2-3-13(21-9-11)17(18,19)20/h2-3,8-10,12H,4-7H2,1H3,(H,22,23,24).
What are the key properties of [4-[(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone?
[4-[(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone has a molecular weight of 381.36 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone is sourced from PubChem (CID 126887940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).