N-[6-methyl-6-[[6-(3,3,3-trifluoropropyl)-3-pyridinyl]methylamino]-1H-pyrazin-2-yl]propanamide

C17H22F3N5O — CID 174811471

IUPACN-[6-methyl-6-[[6-(3,3,3-trifluoropropyl)-3-pyridinyl]methylamino]-1H-pyrazin-2-yl]propanamide
SMILESCCC(=O)NC1=CN=CC(C)(NCc2ccc(CCC(F)(F)F)nc2)N1
InChIInChI=1S/C17H22F3N5O/c1-3-15(26)24-14-10-21-11-16(2,25-14)23-9-12-4-5-13(22-8-12)6-7-17(18,19)20/h4-5,8,10-11,23,25H,3,6-7,9H2,1-2H3,(H,24,26)
InChIKeyWTXBVDSZKITPRK-UHFFFAOYSA-N
MW369.39 g/mol
LogP2.38
Rot. Bonds7

About N-[6-methyl-6-[[6-(3,3,3-trifluoropropyl)-3-pyridinyl]methylamino]-1H-pyrazin-2-yl]propanamide

N-[6-methyl-6-[[6-(3,3,3-trifluoropropyl)-3-pyridinyl]methylamino]-1H-pyrazin-2-yl]propanamide (PubChem CID 174811471) has the molecular formula C17H22F3N5O and a molecular weight of 369.39 g/mol. Its IUPAC name is N-[6-methyl-6-[[6-(3,3,3-trifluoropropyl)-3-pyridinyl]methylamino]-1H-pyrazin-2-yl]propanamide.

Molecular Properties

Compound NameN-[6-methyl-6-[[6-(3,3,3-trifluoropropyl)-3-pyridinyl]methylamino]-1H-pyrazin-2-yl]propanamide
PubChem CID174811471
Molecular FormulaC17H22F3N5O
Molecular Weight369.39 g/mol
Exact Mass369.18
IUPAC NameN-[6-methyl-6-[[6-(3,3,3-trifluoropropyl)-3-pyridinyl]methylamino]-1H-pyrazin-2-yl]propanamide
SMILESCCC(=O)NC1=CN=CC(C)(NCc2ccc(CCC(F)(F)F)nc2)N1
InChIInChI=1S/C17H22F3N5O/c1-3-15(26)24-14-10-21-11-16(2,25-14)23-9-12-4-5-13(22-8-12)6-7-17(18,19)20/h4-5,8,10-11,23,25H,3,6-7,9H2,1-2H3,(H,24,26)
InChIKeyWTXBVDSZKITPRK-UHFFFAOYSA-N
XLogP2.38
TPSA78.41 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.39
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[6-methyl-6-[[6-(3,3,3-trifluoropropyl)-3-pyridinyl]methylamino]-1H-pyrazin-2-yl]propanamide?
The IUPAC name of N-[6-methyl-6-[[6-(3,3,3-trifluoropropyl)-3-pyridinyl]methylamino]-1H-pyrazin-2-yl]propanamide (CID 174811471) is N-[6-methyl-6-[[6-(3,3,3-trifluoropropyl)-3-pyridinyl]methylamino]-1H-pyrazin-2-yl]propanamide.
What is the SMILES notation for N-[6-methyl-6-[[6-(3,3,3-trifluoropropyl)-3-pyridinyl]methylamino]-1H-pyrazin-2-yl]propanamide?
The canonical SMILES for N-[6-methyl-6-[[6-(3,3,3-trifluoropropyl)-3-pyridinyl]methylamino]-1H-pyrazin-2-yl]propanamide is CCC(=O)NC1=CN=CC(C)(NCc2ccc(CCC(F)(F)F)nc2)N1.
What is the InChIKey of N-[6-methyl-6-[[6-(3,3,3-trifluoropropyl)-3-pyridinyl]methylamino]-1H-pyrazin-2-yl]propanamide?
The InChIKey is WTXBVDSZKITPRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F3N5O/c1-3-15(26)24-14-10-21-11-16(2,25-14)23-9-12-4-5-13(22-8-12)6-7-17(18,19)20/h4-5,8,10-11,23,25H,3,6-7,9H2,1-2H3,(H,24,26).
What are the key properties of N-[6-methyl-6-[[6-(3,3,3-trifluoropropyl)-3-pyridinyl]methylamino]-1H-pyrazin-2-yl]propanamide?
N-[6-methyl-6-[[6-(3,3,3-trifluoropropyl)-3-pyridinyl]methylamino]-1H-pyrazin-2-yl]propanamide has a molecular weight of 369.39 g/mol, XLogP of 2.38, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-methyl-6-[[6-(3,3,3-trifluoropropyl)-3-pyridinyl]methylamino]-1H-pyrazin-2-yl]propanamide is sourced from PubChem (CID 174811471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).