1-[[4-cyano-4-(4-methyl-2-pyridinyl)piperidin-1-yl]methyl]-9-methyl-N-(oxan-4-yl)-4-oxoquinolizine-3-carboxamide

C29H33N5O3 — CID 53239365

IUPAC1-[[4-cyano-4-(4-methyl-2-pyridinyl)piperidin-1-yl]methyl]-9-methyl-N-(oxan-4-yl)-4-oxoquinolizine-3-carboxamide
SMILESCc1ccnc(C2(C#N)CCN(Cc3cc(C(=O)NC4CCOCC4)c(=O)n4cccc(C)c34)CC2)c1
InChIInChI=1S/C29H33N5O3/c1-20-5-10-31-25(16-20)29(19-30)8-12-33(13-9-29)18-22-17-24(27(35)32-23-6-14-37-15-7-23)28(36)34-11-3-4-21(2)26(22)34/h3-5,10-11,16-17,23H,6-9,12-15,18H2,1-2H3,(H,32,35)
InChIKeyHSMSFIXBFPWRQU-UHFFFAOYSA-N
MW499.62 g/mol
LogP3.28
Rot. Bonds5

About 1-[[4-cyano-4-(4-methyl-2-pyridinyl)piperidin-1-yl]methyl]-9-methyl-N-(oxan-4-yl)-4-oxoquinolizine-3-carboxamide

1-[[4-cyano-4-(4-methyl-2-pyridinyl)piperidin-1-yl]methyl]-9-methyl-N-(oxan-4-yl)-4-oxoquinolizine-3-carboxamide (PubChem CID 53239365) has the molecular formula C29H33N5O3 and a molecular weight of 499.62 g/mol. Its IUPAC name is 1-[[4-cyano-4-(4-methyl-2-pyridinyl)piperidin-1-yl]methyl]-9-methyl-N-(oxan-4-yl)-4-oxoquinolizine-3-carboxamide.

Molecular Properties

Compound Name1-[[4-cyano-4-(4-methyl-2-pyridinyl)piperidin-1-yl]methyl]-9-methyl-N-(oxan-4-yl)-4-oxoquinolizine-3-carboxamide
PubChem CID53239365
Molecular FormulaC29H33N5O3
Molecular Weight499.62 g/mol
Exact Mass499.26
IUPAC Name1-[[4-cyano-4-(4-methyl-2-pyridinyl)piperidin-1-yl]methyl]-9-methyl-N-(oxan-4-yl)-4-oxoquinolizine-3-carboxamide
SMILESCc1ccnc(C2(C#N)CCN(Cc3cc(C(=O)NC4CCOCC4)c(=O)n4cccc(C)c34)CC2)c1
InChIInChI=1S/C29H33N5O3/c1-20-5-10-31-25(16-20)29(19-30)8-12-33(13-9-29)18-22-17-24(27(35)32-23-6-14-37-15-7-23)28(36)34-11-3-4-21(2)26(22)34/h3-5,10-11,16-17,23H,6-9,12-15,18H2,1-2H3,(H,32,35)
InChIKeyHSMSFIXBFPWRQU-UHFFFAOYSA-N
XLogP3.28
TPSA99.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.62
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Launch Full Analysis

Related Compounds

1-[[4-cyano-4-(4-methyl-2-pyridinyl)piperidin-1-yl]methyl]-N-[(1R,2R)-2-fluorocyclohexyl]-9-methyl-4-oxoquinolizine-3-carboxamide
CID 53239362
1-[(4-cyano-4-pyridin-2-ylpiperidin-1-yl)methyl]-N-[(3R,4S)-3-methyloxan-4-yl]-4-oxoquinolizine-3-carboxamide
CID 53237108
1-[(4-cyano-4-pyridin-2-ylpiperidin-1-yl)methyl]-N-[(1R,2R)-2-hydroxy-2-methylcyclohexyl]-4-oxoquinolizine-3-carboxamide
CID 71455733
1-[(4-cyano-4-pyridin-2-ylpiperidin-1-yl)methyl]-N-[(1S,2S)-2-methylsulfanylcyclohexyl]-4-oxoquinolizine-3-carboxamide
CID 53237104
1-[[4-cyano-4-(2-methylphenyl)piperidin-1-yl]methyl]-4-oxoquinolizine-3-carboxylic acid
CID 25264070
2,4-dimethyl-N-(oxan-4-yl)benzamide
CID 70845723
1-[[3-[(1S,2S)-2-hydroxycyclohexyl]-4-oxopyrido[3,4-h]quinazolin-6-yl]methyl]-4-(4-methyl-2-pyridinyl)piperidine-4-carbonitrile
CID 53303659
N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-2-(oxolan-3-yloxy)pyridine-4-carboxamide
CID 136530424
1-[[2-(oxan-4-yl)-3-oxo-1H-benzo[e]isoindol-5-yl]methyl]-4-pyridin-2-ylpiperidine-4-carbonitrile
CID 71467912
2-methyl-N-(oxan-4-yl)-5-(pyrrolidin-1-ylmethyl)benzamide
CID 70845853
5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-2-methyl-N-(oxan-4-yl)benzamide
CID 70845852
2-ethenyl-3-methyl-N-(oxan-4-yl)benzamide
CID 169452441

Frequently Asked Questions

What is the IUPAC name of 1-[[4-cyano-4-(4-methyl-2-pyridinyl)piperidin-1-yl]methyl]-9-methyl-N-(oxan-4-yl)-4-oxoquinolizine-3-carboxamide?
The IUPAC name of 1-[[4-cyano-4-(4-methyl-2-pyridinyl)piperidin-1-yl]methyl]-9-methyl-N-(oxan-4-yl)-4-oxoquinolizine-3-carboxamide (CID 53239365) is 1-[[4-cyano-4-(4-methyl-2-pyridinyl)piperidin-1-yl]methyl]-9-methyl-N-(oxan-4-yl)-4-oxoquinolizine-3-carboxamide.
What is the SMILES notation for 1-[[4-cyano-4-(4-methyl-2-pyridinyl)piperidin-1-yl]methyl]-9-methyl-N-(oxan-4-yl)-4-oxoquinolizine-3-carboxamide?
The canonical SMILES for 1-[[4-cyano-4-(4-methyl-2-pyridinyl)piperidin-1-yl]methyl]-9-methyl-N-(oxan-4-yl)-4-oxoquinolizine-3-carboxamide is Cc1ccnc(C2(C#N)CCN(Cc3cc(C(=O)NC4CCOCC4)c(=O)n4cccc(C)c34)CC2)c1.
What is the InChIKey of 1-[[4-cyano-4-(4-methyl-2-pyridinyl)piperidin-1-yl]methyl]-9-methyl-N-(oxan-4-yl)-4-oxoquinolizine-3-carboxamide?
The InChIKey is HSMSFIXBFPWRQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N5O3/c1-20-5-10-31-25(16-20)29(19-30)8-12-33(13-9-29)18-22-17-24(27(35)32-23-6-14-37-15-7-23)28(36)34-11-3-4-21(2)26(22)34/h3-5,10-11,16-17,23H,6-9,12-15,18H2,1-2H3,(H,32,35).
What are the key properties of 1-[[4-cyano-4-(4-methyl-2-pyridinyl)piperidin-1-yl]methyl]-9-methyl-N-(oxan-4-yl)-4-oxoquinolizine-3-carboxamide?
1-[[4-cyano-4-(4-methyl-2-pyridinyl)piperidin-1-yl]methyl]-9-methyl-N-(oxan-4-yl)-4-oxoquinolizine-3-carboxamide has a molecular weight of 499.62 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-cyano-4-(4-methyl-2-pyridinyl)piperidin-1-yl]methyl]-9-methyl-N-(oxan-4-yl)-4-oxoquinolizine-3-carboxamide is sourced from PubChem (CID 53239365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).