N-[4-[3-(2-hydroxyacetyl)quinolin-6-yl]-2-pyridinyl]piperidine-4-carboxamide

C22H22N4O3 — CID 58525613

IUPACN-[4-[3-(2-hydroxyacetyl)quinolin-6-yl]-2-pyridinyl]piperidine-4-carboxamide
SMILESO=C(CO)c1cnc2ccc(-c3ccnc(NC(=O)C4CCNCC4)c3)cc2c1
InChIInChI=1S/C22H22N4O3/c27-13-20(28)18-10-17-9-15(1-2-19(17)25-12-18)16-5-8-24-21(11-16)26-22(29)14-3-6-23-7-4-14/h1-2,5,8-12,14,23,27H,3-4,6-7,13H2,(H,24,26,29)
InChIKeyXANLPSSWWKUJJF-UHFFFAOYSA-N
MW390.44 g/mol
LogP2.41
Rot. Bonds5

About N-[4-[3-(2-hydroxyacetyl)quinolin-6-yl]-2-pyridinyl]piperidine-4-carboxamide

N-[4-[3-(2-hydroxyacetyl)quinolin-6-yl]-2-pyridinyl]piperidine-4-carboxamide (PubChem CID 58525613) has the molecular formula C22H22N4O3 and a molecular weight of 390.44 g/mol. Its IUPAC name is N-[4-[3-(2-hydroxyacetyl)quinolin-6-yl]-2-pyridinyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-[3-(2-hydroxyacetyl)quinolin-6-yl]-2-pyridinyl]piperidine-4-carboxamide
PubChem CID58525613
Molecular FormulaC22H22N4O3
Molecular Weight390.44 g/mol
Exact Mass390.17
IUPAC NameN-[4-[3-(2-hydroxyacetyl)quinolin-6-yl]-2-pyridinyl]piperidine-4-carboxamide
SMILESO=C(CO)c1cnc2ccc(-c3ccnc(NC(=O)C4CCNCC4)c3)cc2c1
InChIInChI=1S/C22H22N4O3/c27-13-20(28)18-10-17-9-15(1-2-19(17)25-12-18)16-5-8-24-21(11-16)26-22(29)14-3-6-23-7-4-14/h1-2,5,8-12,14,23,27H,3-4,6-7,13H2,(H,24,26,29)
InChIKeyXANLPSSWWKUJJF-UHFFFAOYSA-N
XLogP2.41
TPSA104.21 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(2-hydroxyacetyl)quinolin-6-yl]-2-pyridinyl]piperidine-4-carboxamide?
The IUPAC name of N-[4-[3-(2-hydroxyacetyl)quinolin-6-yl]-2-pyridinyl]piperidine-4-carboxamide (CID 58525613) is N-[4-[3-(2-hydroxyacetyl)quinolin-6-yl]-2-pyridinyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[4-[3-(2-hydroxyacetyl)quinolin-6-yl]-2-pyridinyl]piperidine-4-carboxamide?
The canonical SMILES for N-[4-[3-(2-hydroxyacetyl)quinolin-6-yl]-2-pyridinyl]piperidine-4-carboxamide is O=C(CO)c1cnc2ccc(-c3ccnc(NC(=O)C4CCNCC4)c3)cc2c1.
What is the InChIKey of N-[4-[3-(2-hydroxyacetyl)quinolin-6-yl]-2-pyridinyl]piperidine-4-carboxamide?
The InChIKey is XANLPSSWWKUJJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3/c27-13-20(28)18-10-17-9-15(1-2-19(17)25-12-18)16-5-8-24-21(11-16)26-22(29)14-3-6-23-7-4-14/h1-2,5,8-12,14,23,27H,3-4,6-7,13H2,(H,24,26,29).
What are the key properties of N-[4-[3-(2-hydroxyacetyl)quinolin-6-yl]-2-pyridinyl]piperidine-4-carboxamide?
N-[4-[3-(2-hydroxyacetyl)quinolin-6-yl]-2-pyridinyl]piperidine-4-carboxamide has a molecular weight of 390.44 g/mol, XLogP of 2.41, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(2-hydroxyacetyl)quinolin-6-yl]-2-pyridinyl]piperidine-4-carboxamide is sourced from PubChem (CID 58525613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).