6-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-3-ethyl-N-(4-ethyl-3-pyridinyl)-1,2,3,4-tetrahydroquinoline-4-carboxamide

C30H35F2N5O — CID 123279801

IUPAC6-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-3-ethyl-N-(4-ethyl-3-pyridinyl)-1,2,3,4-tetrahydroquinoline-4-carboxamide
SMILESCCc1ccncc1NC(=O)C1c2cc(-c3cncc(CN4CCC(F)(F)CC4)c3)ccc2NCC1CC
InChIInChI=1S/C30H35F2N5O/c1-3-21-7-10-33-18-27(21)36-29(38)28-22(4-2)17-35-26-6-5-23(14-25(26)28)24-13-20(15-34-16-24)19-37-11-8-30(31,32)9-12-37/h5-7,10,13-16,18,22,28,35H,3-4,8-9,11-12,17,19H2,1-2H3,(H,36,38)
InChIKeyKWGYBTJXHXTCPM-UHFFFAOYSA-N
MW519.64 g/mol
LogP6.11
Rot. Bonds7

About 6-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-3-ethyl-N-(4-ethyl-3-pyridinyl)-1,2,3,4-tetrahydroquinoline-4-carboxamide

6-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-3-ethyl-N-(4-ethyl-3-pyridinyl)-1,2,3,4-tetrahydroquinoline-4-carboxamide (PubChem CID 123279801) has the molecular formula C30H35F2N5O and a molecular weight of 519.64 g/mol. Its IUPAC name is 6-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-3-ethyl-N-(4-ethyl-3-pyridinyl)-1,2,3,4-tetrahydroquinoline-4-carboxamide.

Molecular Properties

Compound Name6-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-3-ethyl-N-(4-ethyl-3-pyridinyl)-1,2,3,4-tetrahydroquinoline-4-carboxamide
PubChem CID123279801
Molecular FormulaC30H35F2N5O
Molecular Weight519.64 g/mol
Exact Mass519.28
IUPAC Name6-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-3-ethyl-N-(4-ethyl-3-pyridinyl)-1,2,3,4-tetrahydroquinoline-4-carboxamide
SMILESCCc1ccncc1NC(=O)C1c2cc(-c3cncc(CN4CCC(F)(F)CC4)c3)ccc2NCC1CC
InChIInChI=1S/C30H35F2N5O/c1-3-21-7-10-33-18-27(21)36-29(38)28-22(4-2)17-35-26-6-5-23(14-25(26)28)24-13-20(15-34-16-24)19-37-11-8-30(31,32)9-12-37/h5-7,10,13-16,18,22,28,35H,3-4,8-9,11-12,17,19H2,1-2H3,(H,36,38)
InChIKeyKWGYBTJXHXTCPM-UHFFFAOYSA-N
XLogP6.11
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.64
LogP ≤ 56.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-3-ethyl-N-(4-ethyl-3-pyridinyl)-1,2,3,4-tetrahydroquinoline-4-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

6-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-phenyl-1,2-dihydroquinoline-4-carboxamide
CID 142333897
2-[2-amino-5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]phenyl]-N-(4-fluoro-3-pyridinyl)-2-iminoacetamide
CID 166774270
N-cyclopropyl-5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide
CID 118381128
N-[4-(cyclopropanecarbonylamino)-3-pyridinyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 89458581
5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-(5-fluoro-3-pyridinyl)-1H-indazole-3-carboxamide
CID 89451248
5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-(1-methylpiperidin-4-yl)-1H-indazole-3-carboxamide
CID 118382158
5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-[6-(4-ethylhexanoyl)-3-pyridinyl]-2,3-dihydro-1H-indazole-3-carboxamide
CID 123467495
5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[5-[(dimethylamino)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide
CID 89450914
(2R)-6-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-2-methyl-1,2-dihydroquinoline-4-carboxamide
CID 142333341
N-[2-(cyclopropanecarbonylamino)phenyl]-5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[2-(cyclopropanecarbonylamino)phenyl]-5-(5-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[2-(cyclopropanecarbonylamino)phenyl]-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[2-(cyclopropanecarbonylamino)phenyl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide
CID 162174622
5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 89450820
2-(azetidin-1-ylmethyl)-N-[1-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]ethenyl]pyridin-4-amine;ethane
CID 144929396

Frequently Asked Questions

What is the IUPAC name of 6-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-3-ethyl-N-(4-ethyl-3-pyridinyl)-1,2,3,4-tetrahydroquinoline-4-carboxamide?
The IUPAC name of 6-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-3-ethyl-N-(4-ethyl-3-pyridinyl)-1,2,3,4-tetrahydroquinoline-4-carboxamide (CID 123279801) is 6-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-3-ethyl-N-(4-ethyl-3-pyridinyl)-1,2,3,4-tetrahydroquinoline-4-carboxamide.
What is the SMILES notation for 6-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-3-ethyl-N-(4-ethyl-3-pyridinyl)-1,2,3,4-tetrahydroquinoline-4-carboxamide?
The canonical SMILES for 6-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-3-ethyl-N-(4-ethyl-3-pyridinyl)-1,2,3,4-tetrahydroquinoline-4-carboxamide is CCc1ccncc1NC(=O)C1c2cc(-c3cncc(CN4CCC(F)(F)CC4)c3)ccc2NCC1CC.
What is the InChIKey of 6-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-3-ethyl-N-(4-ethyl-3-pyridinyl)-1,2,3,4-tetrahydroquinoline-4-carboxamide?
The InChIKey is KWGYBTJXHXTCPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35F2N5O/c1-3-21-7-10-33-18-27(21)36-29(38)28-22(4-2)17-35-26-6-5-23(14-25(26)28)24-13-20(15-34-16-24)19-37-11-8-30(31,32)9-12-37/h5-7,10,13-16,18,22,28,35H,3-4,8-9,11-12,17,19H2,1-2H3,(H,36,38).
What are the key properties of 6-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-3-ethyl-N-(4-ethyl-3-pyridinyl)-1,2,3,4-tetrahydroquinoline-4-carboxamide?
6-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-3-ethyl-N-(4-ethyl-3-pyridinyl)-1,2,3,4-tetrahydroquinoline-4-carboxamide has a molecular weight of 519.64 g/mol, XLogP of 6.11, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-3-ethyl-N-(4-ethyl-3-pyridinyl)-1,2,3,4-tetrahydroquinoline-4-carboxamide is sourced from PubChem (CID 123279801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).