(2-amino-3-pyridinyl)-[6-(piperidin-3-ylmethylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone

C18H20F3N5O — CID 67739867

IUPAC(2-amino-3-pyridinyl)-[6-(piperidin-3-ylmethylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone
SMILESNc1ncccc1C(=O)c1nc(NCC2CCCNC2)ccc1C(F)(F)F
InChIInChI=1S/C18H20F3N5O/c19-18(20,21)13-5-6-14(25-10-11-3-1-7-23-9-11)26-15(13)16(27)12-4-2-8-24-17(12)22/h2,4-6,8,11,23H,1,3,7,9-10H2,(H2,22,24)(H,25,26)
InChIKeyYISRNRRFTYCKCV-UHFFFAOYSA-N
MW379.39 g/mol
LogP2.72
Rot. Bonds5

About (2-amino-3-pyridinyl)-[6-(piperidin-3-ylmethylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone

(2-amino-3-pyridinyl)-[6-(piperidin-3-ylmethylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone (PubChem CID 67739867) has the molecular formula C18H20F3N5O and a molecular weight of 379.39 g/mol. Its IUPAC name is (2-amino-3-pyridinyl)-[6-(piperidin-3-ylmethylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone.

Molecular Properties

Compound Name(2-amino-3-pyridinyl)-[6-(piperidin-3-ylmethylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone
PubChem CID67739867
Molecular FormulaC18H20F3N5O
Molecular Weight379.39 g/mol
Exact Mass379.16
IUPAC Name(2-amino-3-pyridinyl)-[6-(piperidin-3-ylmethylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone
SMILESNc1ncccc1C(=O)c1nc(NCC2CCCNC2)ccc1C(F)(F)F
InChIInChI=1S/C18H20F3N5O/c19-18(20,21)13-5-6-14(25-10-11-3-1-7-23-9-11)26-15(13)16(27)12-4-2-8-24-17(12)22/h2,4-6,8,11,23H,1,3,7,9-10H2,(H2,22,24)(H,25,26)
InChIKeyYISRNRRFTYCKCV-UHFFFAOYSA-N
XLogP2.72
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.39
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (2-amino-3-pyridinyl)-[6-(piperidin-3-ylmethylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone with MolForge

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Related Compounds

[6-[[4-(aminomethyl)cyclohexyl]methylamino]-3-(trifluoromethyl)-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone
CID 158191323
[6-[[(2S)-2-amino-3-methylbutyl]amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;molecular hydrogen
CID 160611907
N-(piperidin-3-ylmethyl)-2-(trifluoromethyl)aniline
CID 62313468
N-(pyrrolidin-3-ylmethyl)-6-(trifluoromethyl)pyridin-2-amine
CID 78990195
2-methylsulfanyl-N-[[(3R)-piperidin-3-yl]methyl]pyrimidin-4-amine
CID 97165005
2-methyl-N-(piperidin-3-ylmethyl)pyridine-3-carboxamide;dihydrochloride
CID 119462332
(2-amino-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen
CID 161397351
N-(piperidin-3-ylmethyl)quinolin-8-amine
CID 80553061
N-(piperidin-3-ylmethyl)-6-pyridin-2-ylpyridazin-3-amine
CID 116971115
[6-[[(2R)-2-(aminomethyl)-2-phenylbutyl]amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-[[(2S)-2-(aminomethyl)-2-phenylbutyl]amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-[3-(1-hydroxy-2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen
CID 159444107
N-(2-piperidin-3-ylethyl)-2-(trifluoromethyl)benzamide
CID 60895336
2-(2-amino-3-pyridinyl)-1-piperidin-3-ylethanone
CID 116548123

Frequently Asked Questions

What is the IUPAC name of (2-amino-3-pyridinyl)-[6-(piperidin-3-ylmethylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone?
The IUPAC name of (2-amino-3-pyridinyl)-[6-(piperidin-3-ylmethylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone (CID 67739867) is (2-amino-3-pyridinyl)-[6-(piperidin-3-ylmethylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone.
What is the SMILES notation for (2-amino-3-pyridinyl)-[6-(piperidin-3-ylmethylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone?
The canonical SMILES for (2-amino-3-pyridinyl)-[6-(piperidin-3-ylmethylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone is Nc1ncccc1C(=O)c1nc(NCC2CCCNC2)ccc1C(F)(F)F.
What is the InChIKey of (2-amino-3-pyridinyl)-[6-(piperidin-3-ylmethylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone?
The InChIKey is YISRNRRFTYCKCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N5O/c19-18(20,21)13-5-6-14(25-10-11-3-1-7-23-9-11)26-15(13)16(27)12-4-2-8-24-17(12)22/h2,4-6,8,11,23H,1,3,7,9-10H2,(H2,22,24)(H,25,26).
What are the key properties of (2-amino-3-pyridinyl)-[6-(piperidin-3-ylmethylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone?
(2-amino-3-pyridinyl)-[6-(piperidin-3-ylmethylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone has a molecular weight of 379.39 g/mol, XLogP of 2.72, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-3-pyridinyl)-[6-(piperidin-3-ylmethylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone is sourced from PubChem (CID 67739867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).