6-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-(2-piperidin-1-yl-4-pyridinyl)-1,2-dihydroquinoline-4-carboxamide

C28H31N7O2 — CID 144929257

IUPAC6-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-(2-piperidin-1-yl-4-pyridinyl)-1,2-dihydroquinoline-4-carboxamide
SMILESCN(C)C(=O)Nc1cncc(-c2ccc3c(c2)C(C(=O)Nc2ccnc(N4CCCCC4)c2)=CCN3)c1
InChIInChI=1S/C28H31N7O2/c1-34(2)28(37)33-22-14-20(17-29-18-22)19-6-7-25-24(15-19)23(9-11-30-25)27(36)32-21-8-10-31-26(16-21)35-12-4-3-5-13-35/h6-10,14-18,30H,3-5,11-13H2,1-2H3,(H,33,37)(H,31,32,36)
InChIKeyYYWODTPCLQVRMU-UHFFFAOYSA-N
MW497.60 g/mol
LogP4.68
Rot. Bonds5

About 6-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-(2-piperidin-1-yl-4-pyridinyl)-1,2-dihydroquinoline-4-carboxamide

6-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-(2-piperidin-1-yl-4-pyridinyl)-1,2-dihydroquinoline-4-carboxamide (PubChem CID 144929257) has the molecular formula C28H31N7O2 and a molecular weight of 497.60 g/mol. Its IUPAC name is 6-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-(2-piperidin-1-yl-4-pyridinyl)-1,2-dihydroquinoline-4-carboxamide.

Molecular Properties

Compound Name6-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-(2-piperidin-1-yl-4-pyridinyl)-1,2-dihydroquinoline-4-carboxamide
PubChem CID144929257
Molecular FormulaC28H31N7O2
Molecular Weight497.60 g/mol
Exact Mass497.25
IUPAC Name6-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-(2-piperidin-1-yl-4-pyridinyl)-1,2-dihydroquinoline-4-carboxamide
SMILESCN(C)C(=O)Nc1cncc(-c2ccc3c(c2)C(C(=O)Nc2ccnc(N4CCCCC4)c2)=CCN3)c1
InChIInChI=1S/C28H31N7O2/c1-34(2)28(37)33-22-14-20(17-29-18-22)19-6-7-25-24(15-19)23(9-11-30-25)27(36)32-21-8-10-31-26(16-21)35-12-4-3-5-13-35/h6-10,14-18,30H,3-5,11-13H2,1-2H3,(H,33,37)(H,31,32,36)
InChIKeyYYWODTPCLQVRMU-UHFFFAOYSA-N
XLogP4.68
TPSA102.49 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.60
LogP ≤ 54.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 6-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-(2-piperidin-1-yl-4-pyridinyl)-1,2-dihydroquinoline-4-carboxamide with MolForge

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Related Compounds

6-(5-pyrrolidin-1-yl-3-pyridinyl)-N-[6-(trifluoromethyl)-3-pyridinyl]-1,2-dihydroquinoline-4-carboxamide
CID 142333773
5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-N-(2-piperidin-1-yl-4-pyridinyl)-1H-indazole-3-carboxamide
CID 118381614
N-[2-(3,3-difluoroazetidin-1-yl)-4-pyridinyl]-5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 118382347
N-[2-(azetidin-1-yl)-4-pyridinyl]-5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 118381679
N-[6-(piperidin-1-ylmethyl)-3-pyridinyl]-6-pyridin-3-yl-1,2-dihydroquinoline-4-carboxamide
CID 166774274
3-ethyl-6-(5-piperidin-1-yl-3-pyridinyl)-N-pyridin-4-yl-1,2-dihydroquinoline-4-carboxamide
CID 123997935
5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 89451293
N-[2-(azetidin-1-yl)-4-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 118381971
6-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-phenyl-1,2-dihydroquinoline-4-carboxamide
CID 142333897
5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-N-[6-[(dimethylamino)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-[(dimethylamino)methyl]-3-pyridinyl]-5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-[(dimethylamino)methyl]-3-pyridinyl]-5-(5-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-[(dimethylamino)methyl]-3-pyridinyl]-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-[(dimethylamino)methyl]-3-pyridinyl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide
CID 158730582
5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-[2-(azetidin-1-yl)-4-pyridinyl]-1H-indazole-3-carboxamide
CID 118382339
5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-(2-methylpyrimidin-5-yl)-1H-indazole-3-carboxamide
CID 89459134

Frequently Asked Questions

What is the IUPAC name of 6-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-(2-piperidin-1-yl-4-pyridinyl)-1,2-dihydroquinoline-4-carboxamide?
The IUPAC name of 6-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-(2-piperidin-1-yl-4-pyridinyl)-1,2-dihydroquinoline-4-carboxamide (CID 144929257) is 6-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-(2-piperidin-1-yl-4-pyridinyl)-1,2-dihydroquinoline-4-carboxamide.
What is the SMILES notation for 6-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-(2-piperidin-1-yl-4-pyridinyl)-1,2-dihydroquinoline-4-carboxamide?
The canonical SMILES for 6-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-(2-piperidin-1-yl-4-pyridinyl)-1,2-dihydroquinoline-4-carboxamide is CN(C)C(=O)Nc1cncc(-c2ccc3c(c2)C(C(=O)Nc2ccnc(N4CCCCC4)c2)=CCN3)c1.
What is the InChIKey of 6-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-(2-piperidin-1-yl-4-pyridinyl)-1,2-dihydroquinoline-4-carboxamide?
The InChIKey is YYWODTPCLQVRMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N7O2/c1-34(2)28(37)33-22-14-20(17-29-18-22)19-6-7-25-24(15-19)23(9-11-30-25)27(36)32-21-8-10-31-26(16-21)35-12-4-3-5-13-35/h6-10,14-18,30H,3-5,11-13H2,1-2H3,(H,33,37)(H,31,32,36).
What are the key properties of 6-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-(2-piperidin-1-yl-4-pyridinyl)-1,2-dihydroquinoline-4-carboxamide?
6-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-(2-piperidin-1-yl-4-pyridinyl)-1,2-dihydroquinoline-4-carboxamide has a molecular weight of 497.60 g/mol, XLogP of 4.68, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-(2-piperidin-1-yl-4-pyridinyl)-1,2-dihydroquinoline-4-carboxamide is sourced from PubChem (CID 144929257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).