N-[(4-cyano-4-pyridin-2-ylpiperidin-1-yl)methyl]-4-oxo-N-piperidin-4-ylquinolizine-3-carboxamide

C27H30N6O2 — CID 87288689

IUPACN-[(4-cyano-4-pyridin-2-ylpiperidin-1-yl)methyl]-4-oxo-N-piperidin-4-ylquinolizine-3-carboxamide
SMILESN#CC1(c2ccccn2)CCN(CN(C(=O)c2ccc3ccccn3c2=O)C2CCNCC2)CC1
InChIInChI=1S/C27H30N6O2/c28-19-27(24-6-1-3-13-30-24)11-17-31(18-12-27)20-33(22-9-14-29-15-10-22)26(35)23-8-7-21-5-2-4-16-32(21)25(23)34/h1-8,13,16,22,29H,9-12,14-15,17-18,20H2
InChIKeyAVRBKERLGHOYPB-UHFFFAOYSA-N
MW470.58 g/mol
LogP2.40
Rot. Bonds5

About N-[(4-cyano-4-pyridin-2-ylpiperidin-1-yl)methyl]-4-oxo-N-piperidin-4-ylquinolizine-3-carboxamide

N-[(4-cyano-4-pyridin-2-ylpiperidin-1-yl)methyl]-4-oxo-N-piperidin-4-ylquinolizine-3-carboxamide (PubChem CID 87288689) has the molecular formula C27H30N6O2 and a molecular weight of 470.58 g/mol. Its IUPAC name is N-[(4-cyano-4-pyridin-2-ylpiperidin-1-yl)methyl]-4-oxo-N-piperidin-4-ylquinolizine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-cyano-4-pyridin-2-ylpiperidin-1-yl)methyl]-4-oxo-N-piperidin-4-ylquinolizine-3-carboxamide
PubChem CID87288689
Molecular FormulaC27H30N6O2
Molecular Weight470.58 g/mol
Exact Mass470.24
IUPAC NameN-[(4-cyano-4-pyridin-2-ylpiperidin-1-yl)methyl]-4-oxo-N-piperidin-4-ylquinolizine-3-carboxamide
SMILESN#CC1(c2ccccn2)CCN(CN(C(=O)c2ccc3ccccn3c2=O)C2CCNCC2)CC1
InChIInChI=1S/C27H30N6O2/c28-19-27(24-6-1-3-13-30-24)11-17-31(18-12-27)20-33(22-9-14-29-15-10-22)26(35)23-8-7-21-5-2-4-16-32(21)25(23)34/h1-8,13,16,22,29H,9-12,14-15,17-18,20H2
InChIKeyAVRBKERLGHOYPB-UHFFFAOYSA-N
XLogP2.40
TPSA93.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.58
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(4-cyano-4-pyridin-2-ylpiperidin-1-yl)methyl]-4-oxo-N-piperidin-4-ylquinolizine-3-carboxamide?
The IUPAC name of N-[(4-cyano-4-pyridin-2-ylpiperidin-1-yl)methyl]-4-oxo-N-piperidin-4-ylquinolizine-3-carboxamide (CID 87288689) is N-[(4-cyano-4-pyridin-2-ylpiperidin-1-yl)methyl]-4-oxo-N-piperidin-4-ylquinolizine-3-carboxamide.
What is the SMILES notation for N-[(4-cyano-4-pyridin-2-ylpiperidin-1-yl)methyl]-4-oxo-N-piperidin-4-ylquinolizine-3-carboxamide?
The canonical SMILES for N-[(4-cyano-4-pyridin-2-ylpiperidin-1-yl)methyl]-4-oxo-N-piperidin-4-ylquinolizine-3-carboxamide is N#CC1(c2ccccn2)CCN(CN(C(=O)c2ccc3ccccn3c2=O)C2CCNCC2)CC1.
What is the InChIKey of N-[(4-cyano-4-pyridin-2-ylpiperidin-1-yl)methyl]-4-oxo-N-piperidin-4-ylquinolizine-3-carboxamide?
The InChIKey is AVRBKERLGHOYPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N6O2/c28-19-27(24-6-1-3-13-30-24)11-17-31(18-12-27)20-33(22-9-14-29-15-10-22)26(35)23-8-7-21-5-2-4-16-32(21)25(23)34/h1-8,13,16,22,29H,9-12,14-15,17-18,20H2.
What are the key properties of N-[(4-cyano-4-pyridin-2-ylpiperidin-1-yl)methyl]-4-oxo-N-piperidin-4-ylquinolizine-3-carboxamide?
N-[(4-cyano-4-pyridin-2-ylpiperidin-1-yl)methyl]-4-oxo-N-piperidin-4-ylquinolizine-3-carboxamide has a molecular weight of 470.58 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyano-4-pyridin-2-ylpiperidin-1-yl)methyl]-4-oxo-N-piperidin-4-ylquinolizine-3-carboxamide is sourced from PubChem (CID 87288689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).