N-[6-(piperidin-1-ylmethyl)-3-pyridinyl]-6-pyridin-3-yl-1,2-dihydroquinoline-4-carboxamide

C26H27N5O — CID 166774274

IUPACN-[6-(piperidin-1-ylmethyl)-3-pyridinyl]-6-pyridin-3-yl-1,2-dihydroquinoline-4-carboxamide
SMILESO=C(Nc1ccc(CN2CCCCC2)nc1)C1=CCNc2ccc(-c3cccnc3)cc21
InChIInChI=1S/C26H27N5O/c32-26(30-21-7-8-22(29-17-21)18-31-13-2-1-3-14-31)23-10-12-28-25-9-6-19(15-24(23)25)20-5-4-11-27-16-20/h4-11,15-17,28H,1-3,12-14,18H2,(H,30,32)
InChIKeyDIHQYWAGRWFXHG-UHFFFAOYSA-N
MW425.54 g/mol
LogP4.58
Rot. Bonds5

About N-[6-(piperidin-1-ylmethyl)-3-pyridinyl]-6-pyridin-3-yl-1,2-dihydroquinoline-4-carboxamide

N-[6-(piperidin-1-ylmethyl)-3-pyridinyl]-6-pyridin-3-yl-1,2-dihydroquinoline-4-carboxamide (PubChem CID 166774274) has the molecular formula C26H27N5O and a molecular weight of 425.54 g/mol. Its IUPAC name is N-[6-(piperidin-1-ylmethyl)-3-pyridinyl]-6-pyridin-3-yl-1,2-dihydroquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[6-(piperidin-1-ylmethyl)-3-pyridinyl]-6-pyridin-3-yl-1,2-dihydroquinoline-4-carboxamide
PubChem CID166774274
Molecular FormulaC26H27N5O
Molecular Weight425.54 g/mol
Exact Mass425.22
IUPAC NameN-[6-(piperidin-1-ylmethyl)-3-pyridinyl]-6-pyridin-3-yl-1,2-dihydroquinoline-4-carboxamide
SMILESO=C(Nc1ccc(CN2CCCCC2)nc1)C1=CCNc2ccc(-c3cccnc3)cc21
InChIInChI=1S/C26H27N5O/c32-26(30-21-7-8-22(29-17-21)18-31-13-2-1-3-14-31)23-10-12-28-25-9-6-19(15-24(23)25)20-5-4-11-27-16-20/h4-11,15-17,28H,1-3,12-14,18H2,(H,30,32)
InChIKeyDIHQYWAGRWFXHG-UHFFFAOYSA-N
XLogP4.58
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.54
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-3-ethyl-N-[6-(piperidin-1-ylmethyl)-3-pyridinyl]-1,2-dihydroquinoline-4-carboxamide
CID 123930151
6-(5-pyrrolidin-1-yl-3-pyridinyl)-N-[6-(trifluoromethyl)-3-pyridinyl]-1,2-dihydroquinoline-4-carboxamide
CID 142333773
6-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-phenyl-1,2-dihydroquinoline-4-carboxamide
CID 142333897
6-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-(2-piperidin-1-yl-4-pyridinyl)-1,2-dihydroquinoline-4-carboxamide
CID 144929257
N-[6-(azetidin-1-ylmethyl)-3-pyridinyl]-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide
CID 89450370
N-(6-piperidin-1-yl-3-pyridinyl)-5-pyridin-3-yl-1H-indazole-3-carboxamide
CID 89450862
5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 89450996
5-[5-(azepan-1-ylmethyl)-3-pyridinyl]-N-[6-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide
CID 118381994
5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 89451293
5-(4-chlorophenyl)-N-[6-(piperidin-1-ylmethyl)-3-pyridinyl]-1,2-oxazole-3-carboxamide
CID 75521128
5-(2,3-difluorophenyl)-N-[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 118382251
N-[6-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]-8-(5-piperidin-1-yl-3-pyridinyl)-4,5-dihydro-3H-2-benzazepine-1-carboxamide
CID 144555379

Frequently Asked Questions

What is the IUPAC name of N-[6-(piperidin-1-ylmethyl)-3-pyridinyl]-6-pyridin-3-yl-1,2-dihydroquinoline-4-carboxamide?
The IUPAC name of N-[6-(piperidin-1-ylmethyl)-3-pyridinyl]-6-pyridin-3-yl-1,2-dihydroquinoline-4-carboxamide (CID 166774274) is N-[6-(piperidin-1-ylmethyl)-3-pyridinyl]-6-pyridin-3-yl-1,2-dihydroquinoline-4-carboxamide.
What is the SMILES notation for N-[6-(piperidin-1-ylmethyl)-3-pyridinyl]-6-pyridin-3-yl-1,2-dihydroquinoline-4-carboxamide?
The canonical SMILES for N-[6-(piperidin-1-ylmethyl)-3-pyridinyl]-6-pyridin-3-yl-1,2-dihydroquinoline-4-carboxamide is O=C(Nc1ccc(CN2CCCCC2)nc1)C1=CCNc2ccc(-c3cccnc3)cc21.
What is the InChIKey of N-[6-(piperidin-1-ylmethyl)-3-pyridinyl]-6-pyridin-3-yl-1,2-dihydroquinoline-4-carboxamide?
The InChIKey is DIHQYWAGRWFXHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O/c32-26(30-21-7-8-22(29-17-21)18-31-13-2-1-3-14-31)23-10-12-28-25-9-6-19(15-24(23)25)20-5-4-11-27-16-20/h4-11,15-17,28H,1-3,12-14,18H2,(H,30,32).
What are the key properties of N-[6-(piperidin-1-ylmethyl)-3-pyridinyl]-6-pyridin-3-yl-1,2-dihydroquinoline-4-carboxamide?
N-[6-(piperidin-1-ylmethyl)-3-pyridinyl]-6-pyridin-3-yl-1,2-dihydroquinoline-4-carboxamide has a molecular weight of 425.54 g/mol, XLogP of 4.58, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(piperidin-1-ylmethyl)-3-pyridinyl]-6-pyridin-3-yl-1,2-dihydroquinoline-4-carboxamide is sourced from PubChem (CID 166774274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).