5-methyl-N-[3-[(quinoxalin-2-ylamino)methyl]phenyl]pyridine-3-carboxamide

C22H19N5O — CID 175850177

IUPAC5-methyl-N-[3-[(quinoxalin-2-ylamino)methyl]phenyl]pyridine-3-carboxamide
SMILESCc1cncc(C(=O)Nc2cccc(CNc3cnc4ccccc4n3)c2)c1
InChIInChI=1S/C22H19N5O/c1-15-9-17(13-23-11-15)22(28)26-18-6-4-5-16(10-18)12-25-21-14-24-19-7-2-3-8-20(19)27-21/h2-11,13-14H,12H2,1H3,(H,25,27)(H,26,28)
InChIKeyVTVBBDPHMRKWGG-UHFFFAOYSA-N
MW369.43 g/mol
LogP4.20
Rot. Bonds5

About 5-methyl-N-[3-[(quinoxalin-2-ylamino)methyl]phenyl]pyridine-3-carboxamide

5-methyl-N-[3-[(quinoxalin-2-ylamino)methyl]phenyl]pyridine-3-carboxamide (PubChem CID 175850177) has the molecular formula C22H19N5O and a molecular weight of 369.43 g/mol. Its IUPAC name is 5-methyl-N-[3-[(quinoxalin-2-ylamino)methyl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[3-[(quinoxalin-2-ylamino)methyl]phenyl]pyridine-3-carboxamide
PubChem CID175850177
Molecular FormulaC22H19N5O
Molecular Weight369.43 g/mol
Exact Mass369.16
IUPAC Name5-methyl-N-[3-[(quinoxalin-2-ylamino)methyl]phenyl]pyridine-3-carboxamide
SMILESCc1cncc(C(=O)Nc2cccc(CNc3cnc4ccccc4n3)c2)c1
InChIInChI=1S/C22H19N5O/c1-15-9-17(13-23-11-15)22(28)26-18-6-4-5-16(10-18)12-25-21-14-24-19-7-2-3-8-20(19)27-21/h2-11,13-14H,12H2,1H3,(H,25,27)(H,26,28)
InChIKeyVTVBBDPHMRKWGG-UHFFFAOYSA-N
XLogP4.20
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-N-[3-[1-(quinoxalin-2-ylamino)ethyl]phenyl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 155438171
3-methyl-N-(3-quinoxalin-2-ylphenyl)benzamide
CID 2224328
N-(3-chlorophenyl)-5-[(3-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109232423
5-methyl-N-[3-[(1S)-1-(pyrido[2,3-b]pyrazin-3-ylamino)ethyl]phenyl]pyridine-3-carboxamide
CID 155437884
N-(4-methylphenyl)-5-[(3-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109232401
5-fluoro-N-[3-(methylaminomethyl)phenyl]pyridine-3-carboxamide
CID 115736760
5-[(4-methylphenyl)methylamino]-N-phenylpyridine-3-carboxamide
CID 109232664
2-[(3-methylphenyl)methylamino]-N-phenylpyrimidine-5-carboxamide
CID 109255987
N-[3-[(1,3-benzoxazol-2-ylamino)methyl]phenyl]pyridine-4-carboxamide
CID 51120966
N-cyclopropyl-2-[[3-(pyridine-4-carbonylamino)phenyl]methylamino]quinoline-4-carboxamide
CID 60527078
N-[3-[(2-amino-5-chloro-3-pyridinyl)oxymethyl]phenyl]-5-methylpyridine-3-carboxamide
CID 139489296
[4-[(quinoxalin-2-ylamino)methyl]phenyl]methanol
CID 107232330

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[3-[(quinoxalin-2-ylamino)methyl]phenyl]pyridine-3-carboxamide?
The IUPAC name of 5-methyl-N-[3-[(quinoxalin-2-ylamino)methyl]phenyl]pyridine-3-carboxamide (CID 175850177) is 5-methyl-N-[3-[(quinoxalin-2-ylamino)methyl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-methyl-N-[3-[(quinoxalin-2-ylamino)methyl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for 5-methyl-N-[3-[(quinoxalin-2-ylamino)methyl]phenyl]pyridine-3-carboxamide is Cc1cncc(C(=O)Nc2cccc(CNc3cnc4ccccc4n3)c2)c1.
What is the InChIKey of 5-methyl-N-[3-[(quinoxalin-2-ylamino)methyl]phenyl]pyridine-3-carboxamide?
The InChIKey is VTVBBDPHMRKWGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O/c1-15-9-17(13-23-11-15)22(28)26-18-6-4-5-16(10-18)12-25-21-14-24-19-7-2-3-8-20(19)27-21/h2-11,13-14H,12H2,1H3,(H,25,27)(H,26,28).
What are the key properties of 5-methyl-N-[3-[(quinoxalin-2-ylamino)methyl]phenyl]pyridine-3-carboxamide?
5-methyl-N-[3-[(quinoxalin-2-ylamino)methyl]phenyl]pyridine-3-carboxamide has a molecular weight of 369.43 g/mol, XLogP of 4.20, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[3-[(quinoxalin-2-ylamino)methyl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 175850177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).