N-[[4-[(pyridin-2-ylmethylamino)methyl]phenyl]methyl]-N-(5,6,7,8-tetrahydroquinolin-8-yl)pyrazine-2-carboxamide

C28H28N6O — CID 22256455

IUPACN-[[4-[(pyridin-2-ylmethylamino)methyl]phenyl]methyl]-N-(5,6,7,8-tetrahydroquinolin-8-yl)pyrazine-2-carboxamide
SMILESO=C(c1cnccn1)N(Cc1ccc(CNCc2ccccn2)cc1)C1CCCc2cccnc21
InChIInChI=1S/C28H28N6O/c35-28(25-19-29-15-16-32-25)34(26-8-3-5-23-6-4-14-33-27(23)26)20-22-11-9-21(10-12-22)17-30-18-24-7-1-2-13-31-24/h1-2,4,6-7,9-16,19,26,30H,3,5,8,17-18,20H2
InChIKeyUWAKJWARIZWAPY-UHFFFAOYSA-N
MW464.57 g/mol
LogP4.28
Rot. Bonds8

About N-[[4-[(pyridin-2-ylmethylamino)methyl]phenyl]methyl]-N-(5,6,7,8-tetrahydroquinolin-8-yl)pyrazine-2-carboxamide

N-[[4-[(pyridin-2-ylmethylamino)methyl]phenyl]methyl]-N-(5,6,7,8-tetrahydroquinolin-8-yl)pyrazine-2-carboxamide (PubChem CID 22256455) has the molecular formula C28H28N6O and a molecular weight of 464.57 g/mol. Its IUPAC name is N-[[4-[(pyridin-2-ylmethylamino)methyl]phenyl]methyl]-N-(5,6,7,8-tetrahydroquinolin-8-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[[4-[(pyridin-2-ylmethylamino)methyl]phenyl]methyl]-N-(5,6,7,8-tetrahydroquinolin-8-yl)pyrazine-2-carboxamide
PubChem CID22256455
Molecular FormulaC28H28N6O
Molecular Weight464.57 g/mol
Exact Mass464.23
IUPAC NameN-[[4-[(pyridin-2-ylmethylamino)methyl]phenyl]methyl]-N-(5,6,7,8-tetrahydroquinolin-8-yl)pyrazine-2-carboxamide
SMILESO=C(c1cnccn1)N(Cc1ccc(CNCc2ccccn2)cc1)C1CCCc2cccnc21
InChIInChI=1S/C28H28N6O/c35-28(25-19-29-15-16-32-25)34(26-8-3-5-23-6-4-14-33-27(23)26)20-22-11-9-21(10-12-22)17-30-18-24-7-1-2-13-31-24/h1-2,4,6-7,9-16,19,26,30H,3,5,8,17-18,20H2
InChIKeyUWAKJWARIZWAPY-UHFFFAOYSA-N
XLogP4.28
TPSA83.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.57
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[4-[(pyridin-2-ylmethylamino)methyl]phenyl]methyl]-N-(5,6,7,8-tetrahydroquinolin-8-yl)pyrazine-2-carboxamide with MolForge

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Related Compounds

(2S)-4-amino-4-oxo-2-[[4-[(pyridin-2-ylmethylamino)methyl]phenyl]methyl-(5,6,7,8-tetrahydroquinolin-8-yl)amino]butanoic acid
CID 141182350
N-(1H-imidazol-5-ylmethyl)-N-[[4-[(pyridin-2-ylmethylamino)methyl]phenyl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine;hydrobromide
CID 69086385
phenyl-[2-[[[4-[(pyridin-2-ylmethylamino)methyl]phenyl]methyl-(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-3H-benzimidazol-5-yl]methanone
CID 20763998
N-benzyl-N'-[[4-[(pyridin-2-ylmethylamino)methyl]phenyl]methyl]-N'-(5,6,7,8-tetrahydroquinolin-8-yl)ethane-1,2-diamine;hydrobromide
CID 46205813
trans-(1S,2S)-2-N-[[4-[(pyridin-2-ylmethylamino)methyl]phenyl]methyl]-2-N-(5,6,7,8-tetrahydroquinolin-8-yl)cyclohexane-1,2-diamine
CID 67198974
1-benzyl-1-[4-[(pyridin-2-ylmethylamino)methyl]phenyl]-3-(5,6,7,8-tetrahydroquinolin-8-yl)urea
CID 71050475
trans-(1S,2S)-2-N-[[4-[(pyridin-2-ylmethylamino)methyl]phenyl]methyl]-2-N-(5,6,7,8-tetrahydroquinolin-8-yl)cyclohexane-1,2-diamine;hydrobromide
CID 69088000
N-(1,3-benzoxazol-2-ylmethyl)-N-[[4-[(pyridin-2-ylmethylamino)methyl]phenyl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine;hydrobromide
CID 46205815
N-[(2,6-difluorophenyl)methyl]-N-[[4-[(pyridin-2-ylmethylamino)methyl]phenyl]methyl]-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-amine
CID 22256408
N-[1-(benzenesulfonyl)propan-2-yl]-N-[[4-[(pyridin-2-ylmethylamino)methyl]phenyl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 22256450
N-[1-(1H-benzimidazol-2-yl)ethyl]-N-[[4-[(pyridin-2-ylmethylamino)methyl]phenyl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 54037814
N-[(5-ethylthiophen-2-yl)methyl]-N-[[4-[(pyridin-2-ylmethylamino)methyl]phenyl]methyl]-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-amine
CID 22256434

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(pyridin-2-ylmethylamino)methyl]phenyl]methyl]-N-(5,6,7,8-tetrahydroquinolin-8-yl)pyrazine-2-carboxamide?
The IUPAC name of N-[[4-[(pyridin-2-ylmethylamino)methyl]phenyl]methyl]-N-(5,6,7,8-tetrahydroquinolin-8-yl)pyrazine-2-carboxamide (CID 22256455) is N-[[4-[(pyridin-2-ylmethylamino)methyl]phenyl]methyl]-N-(5,6,7,8-tetrahydroquinolin-8-yl)pyrazine-2-carboxamide.
What is the SMILES notation for N-[[4-[(pyridin-2-ylmethylamino)methyl]phenyl]methyl]-N-(5,6,7,8-tetrahydroquinolin-8-yl)pyrazine-2-carboxamide?
The canonical SMILES for N-[[4-[(pyridin-2-ylmethylamino)methyl]phenyl]methyl]-N-(5,6,7,8-tetrahydroquinolin-8-yl)pyrazine-2-carboxamide is O=C(c1cnccn1)N(Cc1ccc(CNCc2ccccn2)cc1)C1CCCc2cccnc21.
What is the InChIKey of N-[[4-[(pyridin-2-ylmethylamino)methyl]phenyl]methyl]-N-(5,6,7,8-tetrahydroquinolin-8-yl)pyrazine-2-carboxamide?
The InChIKey is UWAKJWARIZWAPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N6O/c35-28(25-19-29-15-16-32-25)34(26-8-3-5-23-6-4-14-33-27(23)26)20-22-11-9-21(10-12-22)17-30-18-24-7-1-2-13-31-24/h1-2,4,6-7,9-16,19,26,30H,3,5,8,17-18,20H2.
What are the key properties of N-[[4-[(pyridin-2-ylmethylamino)methyl]phenyl]methyl]-N-(5,6,7,8-tetrahydroquinolin-8-yl)pyrazine-2-carboxamide?
N-[[4-[(pyridin-2-ylmethylamino)methyl]phenyl]methyl]-N-(5,6,7,8-tetrahydroquinolin-8-yl)pyrazine-2-carboxamide has a molecular weight of 464.57 g/mol, XLogP of 4.28, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(pyridin-2-ylmethylamino)methyl]phenyl]methyl]-N-(5,6,7,8-tetrahydroquinolin-8-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 22256455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).