N-methyl-4-[6-[2-methyl-5-(methylamino)phenyl]pyrazin-2-yl]pyridine-2-carboxamide;4-(trifluoromethyl)pyridine-2-carbaldehyde

C26H23F3N6O2 — CID 168930113

IUPACN-methyl-4-[6-[2-methyl-5-(methylamino)phenyl]pyrazin-2-yl]pyridine-2-carboxamide;4-(trifluoromethyl)pyridine-2-carbaldehyde
SMILESCNC(=O)c1cc(-c2cncc(-c3cc(NC)ccc3C)n2)ccn1.O=Cc1cc(C(F)(F)F)ccn1
InChIInChI=1S/C19H19N5O.C7H4F3NO/c1-12-4-5-14(20-2)9-15(12)18-11-22-10-17(24-18)13-6-7-23-16(8-13)19(25)21-3;8-7(9,10)5-1-2-11-6(3-5)4-12/h4-11,20H,1-3H3,(H,21,25);1-4H
InChIKeyLHCWEYGICDJTBR-UHFFFAOYSA-N
MW508.50 g/mol
LogP4.83
Rot. Bonds5

About N-methyl-4-[6-[2-methyl-5-(methylamino)phenyl]pyrazin-2-yl]pyridine-2-carboxamide;4-(trifluoromethyl)pyridine-2-carbaldehyde

N-methyl-4-[6-[2-methyl-5-(methylamino)phenyl]pyrazin-2-yl]pyridine-2-carboxamide;4-(trifluoromethyl)pyridine-2-carbaldehyde (PubChem CID 168930113) has the molecular formula C26H23F3N6O2 and a molecular weight of 508.50 g/mol. Its IUPAC name is N-methyl-4-[6-[2-methyl-5-(methylamino)phenyl]pyrazin-2-yl]pyridine-2-carboxamide;4-(trifluoromethyl)pyridine-2-carbaldehyde.

Molecular Properties

Compound NameN-methyl-4-[6-[2-methyl-5-(methylamino)phenyl]pyrazin-2-yl]pyridine-2-carboxamide;4-(trifluoromethyl)pyridine-2-carbaldehyde
PubChem CID168930113
Molecular FormulaC26H23F3N6O2
Molecular Weight508.50 g/mol
Exact Mass508.18
IUPAC NameN-methyl-4-[6-[2-methyl-5-(methylamino)phenyl]pyrazin-2-yl]pyridine-2-carboxamide;4-(trifluoromethyl)pyridine-2-carbaldehyde
SMILESCNC(=O)c1cc(-c2cncc(-c3cc(NC)ccc3C)n2)ccn1.O=Cc1cc(C(F)(F)F)ccn1
InChIInChI=1S/C19H19N5O.C7H4F3NO/c1-12-4-5-14(20-2)9-15(12)18-11-22-10-17(24-18)13-6-7-23-16(8-13)19(25)21-3;8-7(9,10)5-1-2-11-6(3-5)4-12/h4-11,20H,1-3H3,(H,21,25);1-4H
InChIKeyLHCWEYGICDJTBR-UHFFFAOYSA-N
XLogP4.83
TPSA109.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.50
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

3-[6-(2-formyl-4-pyridinyl)pyrazin-2-yl]-4-methyl-N-(1-propan-2-ylpyrazol-4-yl)benzamide
CID 168929891
cyclopropanecarbaldehyde;2-[[6-[2-(methylamino)-4-pyridinyl]-4-[2-methyl-5-(methylamino)phenyl]-2-pyridinyl]amino]propan-1-ol;5-(trifluoromethyl)pyridazine-3-carbaldehyde
CID 176572504
N-methyl-4-[4-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]-3-pyridinyl]-2-pyridinyl]pyridine-2-carboxamide
CID 168930262
N-[3-[3-amino-5-[2-(methylcarbamoyl)-4-pyridinyl]phenyl]-4-methylphenyl]-5-(trifluoromethyl)pyridazine-3-carboxamide
CID 176565448
N-[4-methyl-3-[7-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl]-4-(trifluoromethyl)pyridine-2-carboxamide
CID 155253604
4-[6-[2-methyl-5-(methylamino)phenyl]pyrimidin-4-yl]pyridine-2-carboxamide
CID 168929368
4-[6-[5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methylphenyl]pyrazin-2-yl]-N-cyclopropylpyridine-2-carboxamide
CID 168930218
N-[4-[2-[2-methyl-5-(methylamino)phenyl]pyrimidin-4-yl]-2-pyridinyl]acetamide;2-(trifluoromethyl)pyridine-4-carbaldehyde
CID 168930442
N-[3-(7-amino-8-chloro-1,6-naphthyridin-3-yl)-4-methylphenyl]-4-(trifluoromethyl)pyridine-2-carboxamide
CID 171520632
2-(2-fluoropropan-2-yl)-N-[3-[5-(2-formyl-4-pyridinyl)-6-methyl-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;N-methylmethanamine
CID 168929774
4-[4-[[3,5-bis(trifluoromethyl)phenyl]carbamoylamino]phenyl]-N-methylpyridine-2-carboxamide
CID 122180068
6-[5-[5-[[2-(1,1-difluoroethyl)pyridine-4-carbonyl]amino]-2-methylphenyl]-3-pyridinyl]-N-methylpyrimidine-4-carboxamide
CID 168930025

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[6-[2-methyl-5-(methylamino)phenyl]pyrazin-2-yl]pyridine-2-carboxamide;4-(trifluoromethyl)pyridine-2-carbaldehyde?
The IUPAC name of N-methyl-4-[6-[2-methyl-5-(methylamino)phenyl]pyrazin-2-yl]pyridine-2-carboxamide;4-(trifluoromethyl)pyridine-2-carbaldehyde (CID 168930113) is N-methyl-4-[6-[2-methyl-5-(methylamino)phenyl]pyrazin-2-yl]pyridine-2-carboxamide;4-(trifluoromethyl)pyridine-2-carbaldehyde.
What is the SMILES notation for N-methyl-4-[6-[2-methyl-5-(methylamino)phenyl]pyrazin-2-yl]pyridine-2-carboxamide;4-(trifluoromethyl)pyridine-2-carbaldehyde?
The canonical SMILES for N-methyl-4-[6-[2-methyl-5-(methylamino)phenyl]pyrazin-2-yl]pyridine-2-carboxamide;4-(trifluoromethyl)pyridine-2-carbaldehyde is CNC(=O)c1cc(-c2cncc(-c3cc(NC)ccc3C)n2)ccn1.O=Cc1cc(C(F)(F)F)ccn1.
What is the InChIKey of N-methyl-4-[6-[2-methyl-5-(methylamino)phenyl]pyrazin-2-yl]pyridine-2-carboxamide;4-(trifluoromethyl)pyridine-2-carbaldehyde?
The InChIKey is LHCWEYGICDJTBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O.C7H4F3NO/c1-12-4-5-14(20-2)9-15(12)18-11-22-10-17(24-18)13-6-7-23-16(8-13)19(25)21-3;8-7(9,10)5-1-2-11-6(3-5)4-12/h4-11,20H,1-3H3,(H,21,25);1-4H.
What are the key properties of N-methyl-4-[6-[2-methyl-5-(methylamino)phenyl]pyrazin-2-yl]pyridine-2-carboxamide;4-(trifluoromethyl)pyridine-2-carbaldehyde?
N-methyl-4-[6-[2-methyl-5-(methylamino)phenyl]pyrazin-2-yl]pyridine-2-carboxamide;4-(trifluoromethyl)pyridine-2-carbaldehyde has a molecular weight of 508.50 g/mol, XLogP of 4.83, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[6-[2-methyl-5-(methylamino)phenyl]pyrazin-2-yl]pyridine-2-carboxamide;4-(trifluoromethyl)pyridine-2-carbaldehyde is sourced from PubChem (CID 168930113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).