5-(3-methylbutylamino)-N-(4-methyl-3-pyridinyl)pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid

C18H22F3N5O3 — CID 67404827

IUPAC5-(3-methylbutylamino)-N-(4-methyl-3-pyridinyl)pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid
SMILESCc1ccncc1NC(=O)c1cnc(NCCC(C)C)cn1.O=C(O)C(F)(F)F
InChIInChI=1S/C16H21N5O.C2HF3O2/c1-11(2)4-7-18-15-10-19-14(9-20-15)16(22)21-13-8-17-6-5-12(13)3;3-2(4,5)1(6)7/h5-6,8-11H,4,7H2,1-3H3,(H,18,20)(H,21,22);(H,6,7)
InChIKeyFQXIOKDGXNTICG-UHFFFAOYSA-N
MW413.40 g/mol
LogP3.52
Rot. Bonds6

About 5-(3-methylbutylamino)-N-(4-methyl-3-pyridinyl)pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid

5-(3-methylbutylamino)-N-(4-methyl-3-pyridinyl)pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 67404827) has the molecular formula C18H22F3N5O3 and a molecular weight of 413.40 g/mol. Its IUPAC name is 5-(3-methylbutylamino)-N-(4-methyl-3-pyridinyl)pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name5-(3-methylbutylamino)-N-(4-methyl-3-pyridinyl)pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID67404827
Molecular FormulaC18H22F3N5O3
Molecular Weight413.40 g/mol
Exact Mass413.17
IUPAC Name5-(3-methylbutylamino)-N-(4-methyl-3-pyridinyl)pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid
SMILESCc1ccncc1NC(=O)c1cnc(NCCC(C)C)cn1.O=C(O)C(F)(F)F
InChIInChI=1S/C16H21N5O.C2HF3O2/c1-11(2)4-7-18-15-10-19-14(9-20-15)16(22)21-13-8-17-6-5-12(13)3;3-2(4,5)1(6)7/h5-6,8-11H,4,7H2,1-3H3,(H,18,20)(H,21,22);(H,6,7)
InChIKeyFQXIOKDGXNTICG-UHFFFAOYSA-N
XLogP3.52
TPSA117.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.40
LogP ≤ 53.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-(3-methylbutylamino)-N-(2-methylphenyl)pyrazine-2-carboxamide
CID 109287893
5-hydrazinyl-N-(4-methyl-3-pyridinyl)pyrazine-2-carboxamide
CID 107378263
5-(3-methylbutylamino)-N-(2-propan-2-ylphenyl)pyrazine-2-carboxamide
CID 109287909
N-(3-acetamidophenyl)-5-(3-methylbutylamino)pyrazine-2-carboxamide
CID 109287947
N-(2-methylphenyl)-5-(2-phenylethylamino)pyrazine-2-carboxamide
CID 109283937
N-(2,6-diethylphenyl)-5-(3-methylbutylamino)pyrazine-2-carboxamide
CID 109287912
methyl 3-[[5-(3-methylbutylamino)pyrazine-2-carbonyl]amino]benzoate
CID 109287950
N-(4-chloro-2-methylphenyl)-5-(2-methylpropylamino)pyrazine-2-carboxamide
CID 109273038
N-(4-bromo-2-methylphenyl)-5-(3-methylbutylamino)pyridine-2-carboxamide
CID 109195688
N-(5-chloro-2-methylphenyl)-6-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109354221
5-(3-methylbutylamino)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 109195665
N-(2,4-dimethylphenyl)-5-[2-(4-fluorophenyl)ethylamino]pyrazine-2-carboxamide
CID 109284527

Frequently Asked Questions

What is the IUPAC name of 5-(3-methylbutylamino)-N-(4-methyl-3-pyridinyl)pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 5-(3-methylbutylamino)-N-(4-methyl-3-pyridinyl)pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid (CID 67404827) is 5-(3-methylbutylamino)-N-(4-methyl-3-pyridinyl)pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 5-(3-methylbutylamino)-N-(4-methyl-3-pyridinyl)pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 5-(3-methylbutylamino)-N-(4-methyl-3-pyridinyl)pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid is Cc1ccncc1NC(=O)c1cnc(NCCC(C)C)cn1.O=C(O)C(F)(F)F.
What is the InChIKey of 5-(3-methylbutylamino)-N-(4-methyl-3-pyridinyl)pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is FQXIOKDGXNTICG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O.C2HF3O2/c1-11(2)4-7-18-15-10-19-14(9-20-15)16(22)21-13-8-17-6-5-12(13)3;3-2(4,5)1(6)7/h5-6,8-11H,4,7H2,1-3H3,(H,18,20)(H,21,22);(H,6,7).
What are the key properties of 5-(3-methylbutylamino)-N-(4-methyl-3-pyridinyl)pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid?
5-(3-methylbutylamino)-N-(4-methyl-3-pyridinyl)pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 413.40 g/mol, XLogP of 3.52, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylbutylamino)-N-(4-methyl-3-pyridinyl)pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 67404827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).