N-(8-methylisoquinolin-1-yl)-4-phenyl-N-[(3R)-piperidin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxamide

C27H30N4O — CID 172532790

IUPACN-(8-methylisoquinolin-1-yl)-4-phenyl-N-[(3R)-piperidin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCc1cccc2ccnc(N(C(=O)N3CC=C(c4ccccc4)CC3)[C@@H]3CCCNC3)c12
InChIInChI=1S/C27H30N4O/c1-20-7-5-10-23-12-16-29-26(25(20)23)31(24-11-6-15-28-19-24)27(32)30-17-13-22(14-18-30)21-8-3-2-4-9-21/h2-5,7-10,12-13,16,24,28H,6,11,14-15,17-19H2,1H3/t24-/m1/s1
InChIKeySWCMUXVBCBRXLJ-XMMPIXPASA-N
MW426.56 g/mol
LogP5.01
Rot. Bonds3

About N-(8-methylisoquinolin-1-yl)-4-phenyl-N-[(3R)-piperidin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxamide

N-(8-methylisoquinolin-1-yl)-4-phenyl-N-[(3R)-piperidin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxamide (PubChem CID 172532790) has the molecular formula C27H30N4O and a molecular weight of 426.56 g/mol. Its IUPAC name is N-(8-methylisoquinolin-1-yl)-4-phenyl-N-[(3R)-piperidin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxamide.

Molecular Properties

Compound NameN-(8-methylisoquinolin-1-yl)-4-phenyl-N-[(3R)-piperidin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxamide
PubChem CID172532790
Molecular FormulaC27H30N4O
Molecular Weight426.56 g/mol
Exact Mass426.24
IUPAC NameN-(8-methylisoquinolin-1-yl)-4-phenyl-N-[(3R)-piperidin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCc1cccc2ccnc(N(C(=O)N3CC=C(c4ccccc4)CC3)[C@@H]3CCCNC3)c12
InChIInChI=1S/C27H30N4O/c1-20-7-5-10-23-12-16-29-26(25(20)23)31(24-11-6-15-28-19-24)27(32)30-17-13-22(14-18-30)21-8-3-2-4-9-21/h2-5,7-10,12-13,16,24,28H,6,11,14-15,17-19H2,1H3/t24-/m1/s1
InChIKeySWCMUXVBCBRXLJ-XMMPIXPASA-N
XLogP5.01
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.56
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(8-methylisoquinolin-1-yl)-4-phenyl-N-[(3R)-piperidin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxamide with MolForge

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Related Compounds

ethyl 5-[1-[(8-methylisoquinolin-1-yl)-[(3R)-piperidin-3-yl]carbamoyl]piperidin-4-yl]-1,2-oxazole-3-carboxylate
CID 172533442
2-fluoro-4-(hydroxymethyl)-N-(8-methylisoquinolin-1-yl)-N-[(3R)-piperidin-3-yl]benzamide
CID 172533421
2-fluoro-N-(8-methylisoquinolin-1-yl)-4-(1-methyltriazol-4-yl)-N-[(3R)-piperidin-3-yl]benzamide
CID 172533003
2-fluoro-N-(8-methylisoquinolin-1-yl)-4-(3-methyl-1,2-oxazol-5-yl)-N-[(3R)-piperidin-3-yl]benzamide
CID 172532663
2-fluoro-N-(8-methylisoquinolin-1-yl)-4-[[4-(3-oxopyrrolidin-1-yl)pyrimidin-2-yl]amino]-N-[(3R)-piperidin-3-yl]benzamide
CID 172532156
2-fluoro-N-(8-methylisoquinolin-1-yl)-N-[(3R)-piperidin-3-yl]-4-[(4-piperidin-1-ylpyrimidin-2-yl)amino]benzamide
CID 172533332
2-fluoro-N-(8-methylisoquinolin-1-yl)-N-[(3R)-piperidin-3-yl]-4-[1-(trideuteriomethyl)triazol-4-yl]benzamide
CID 172532539
2-fluoro-N-(8-methylisoquinolin-1-yl)-4-(5-methyltetrazol-2-yl)-N-[(3R)-piperidin-3-yl]benzamide
CID 172533089
3-[5-(3-hydroxypyrrolidin-1-yl)-5-oxopent-1-ynyl]-N-(8-methylisoquinolin-1-yl)-N-[(3R)-piperidin-3-yl]benzamide
CID 172533034
2-chloro-N-(8-methylisoquinolin-1-yl)-N-[(3R)-piperidin-3-yl]-4-(triazolo[4,5-b]pyridin-3-yl)benzamide
CID 172532499
2-fluoro-4-[[4-[(3S)-3-hydroxypiperidin-1-yl]pyrimidin-2-yl]amino]-N-(8-methylisoquinolin-1-yl)-N-[(3R)-piperidin-3-yl]benzamide
CID 172532229
4-(6-chloro-2-pyridinyl)-N-(1-methylpyrrolo[2,3-c]pyridin-7-yl)-N-[(3R)-piperidin-3-yl]piperazine-1-carboxamide
CID 172533600

Frequently Asked Questions

What is the IUPAC name of N-(8-methylisoquinolin-1-yl)-4-phenyl-N-[(3R)-piperidin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxamide?
The IUPAC name of N-(8-methylisoquinolin-1-yl)-4-phenyl-N-[(3R)-piperidin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxamide (CID 172532790) is N-(8-methylisoquinolin-1-yl)-4-phenyl-N-[(3R)-piperidin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxamide.
What is the SMILES notation for N-(8-methylisoquinolin-1-yl)-4-phenyl-N-[(3R)-piperidin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxamide?
The canonical SMILES for N-(8-methylisoquinolin-1-yl)-4-phenyl-N-[(3R)-piperidin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxamide is Cc1cccc2ccnc(N(C(=O)N3CC=C(c4ccccc4)CC3)[C@@H]3CCCNC3)c12.
What is the InChIKey of N-(8-methylisoquinolin-1-yl)-4-phenyl-N-[(3R)-piperidin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxamide?
The InChIKey is SWCMUXVBCBRXLJ-XMMPIXPASA-N. The full InChI is InChI=1S/C27H30N4O/c1-20-7-5-10-23-12-16-29-26(25(20)23)31(24-11-6-15-28-19-24)27(32)30-17-13-22(14-18-30)21-8-3-2-4-9-21/h2-5,7-10,12-13,16,24,28H,6,11,14-15,17-19H2,1H3/t24-/m1/s1.
What are the key properties of N-(8-methylisoquinolin-1-yl)-4-phenyl-N-[(3R)-piperidin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxamide?
N-(8-methylisoquinolin-1-yl)-4-phenyl-N-[(3R)-piperidin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxamide has a molecular weight of 426.56 g/mol, XLogP of 5.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-methylisoquinolin-1-yl)-4-phenyl-N-[(3R)-piperidin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxamide is sourced from PubChem (CID 172532790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).