N-[4-[[1H-benzimidazol-2-ylmethyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]phenyl]pyridine-2-carboxamide

C30H28N6O — CID 10184809

IUPACN-[4-[[1H-benzimidazol-2-ylmethyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1ccc(CN(Cc2nc3ccccc3[nH]2)C2CCCc3cccnc32)cc1)c1ccccn1
InChIInChI=1S/C30H28N6O/c37-30(26-11-3-4-17-31-26)33-23-15-13-21(14-16-23)19-36(20-28-34-24-9-1-2-10-25(24)35-28)27-12-5-7-22-8-6-18-32-29(22)27/h1-4,6,8-11,13-18,27H,5,7,12,19-20H2,(H,33,37)(H,34,35)
InChIKeyNITSTTAMDWAHOS-UHFFFAOYSA-N
MW488.60 g/mol
LogP5.68
Rot. Bonds7

About N-[4-[[1H-benzimidazol-2-ylmethyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]phenyl]pyridine-2-carboxamide

N-[4-[[1H-benzimidazol-2-ylmethyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]phenyl]pyridine-2-carboxamide (PubChem CID 10184809) has the molecular formula C30H28N6O and a molecular weight of 488.60 g/mol. Its IUPAC name is N-[4-[[1H-benzimidazol-2-ylmethyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[[1H-benzimidazol-2-ylmethyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]phenyl]pyridine-2-carboxamide
PubChem CID10184809
Molecular FormulaC30H28N6O
Molecular Weight488.60 g/mol
Exact Mass488.23
IUPAC NameN-[4-[[1H-benzimidazol-2-ylmethyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1ccc(CN(Cc2nc3ccccc3[nH]2)C2CCCc3cccnc32)cc1)c1ccccn1
InChIInChI=1S/C30H28N6O/c37-30(26-11-3-4-17-31-26)33-23-15-13-21(14-16-23)19-36(20-28-34-24-9-1-2-10-25(24)35-28)27-12-5-7-22-8-6-18-32-29(22)27/h1-4,6,8-11,13-18,27H,5,7,12,19-20H2,(H,33,37)(H,34,35)
InChIKeyNITSTTAMDWAHOS-UHFFFAOYSA-N
XLogP5.68
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.60
LogP ≤ 55.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[1H-benzimidazol-2-ylmethyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]phenyl]pyridine-2-carboxamide?
The IUPAC name of N-[4-[[1H-benzimidazol-2-ylmethyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]phenyl]pyridine-2-carboxamide (CID 10184809) is N-[4-[[1H-benzimidazol-2-ylmethyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]phenyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[4-[[1H-benzimidazol-2-ylmethyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]phenyl]pyridine-2-carboxamide?
The canonical SMILES for N-[4-[[1H-benzimidazol-2-ylmethyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]phenyl]pyridine-2-carboxamide is O=C(Nc1ccc(CN(Cc2nc3ccccc3[nH]2)C2CCCc3cccnc32)cc1)c1ccccn1.
What is the InChIKey of N-[4-[[1H-benzimidazol-2-ylmethyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]phenyl]pyridine-2-carboxamide?
The InChIKey is NITSTTAMDWAHOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N6O/c37-30(26-11-3-4-17-31-26)33-23-15-13-21(14-16-23)19-36(20-28-34-24-9-1-2-10-25(24)35-28)27-12-5-7-22-8-6-18-32-29(22)27/h1-4,6,8-11,13-18,27H,5,7,12,19-20H2,(H,33,37)(H,34,35).
What are the key properties of N-[4-[[1H-benzimidazol-2-ylmethyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]phenyl]pyridine-2-carboxamide?
N-[4-[[1H-benzimidazol-2-ylmethyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]phenyl]pyridine-2-carboxamide has a molecular weight of 488.60 g/mol, XLogP of 5.68, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[1H-benzimidazol-2-ylmethyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 10184809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).