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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Related Compounds

N-[4-[2-(4-fluoroanilino)-4-pyridinyl]-2-pyridinyl]pyrrolidine-3-carboxamide
CID 67062284
N-pyrazin-2-ylpiperidine-4-carboxamide
CID 43616167
N-[4-(4-methylpyrimidin-2-yl)phenyl]piperidine-4-carboxamide;hydrochloride
CID 119327335
N-[4-[4-(aminomethyl)-3-methylphenyl]-2-pyridinyl]cyclopropanecarboxamide
CID 155288152
(3R)-N-[4-(3-methylbenzimidazol-5-yl)-2-pyridinyl]piperidine-3-carboxamide
CID 90412986
N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)-1,7-naphthyridin-6-yl]piperidine-4-carboxamide
CID 138589547
N-(5-pyridin-4-yl-1H-pyrazol-3-yl)piperidine-4-carboxamide
CID 110471886
2-piperidin-4-yl-1-quinolin-3-ylethanone
CID 116559840
N-[4-(2-methyl-4-pyrimidin-5-yl-1H-imidazol-5-yl)-2-pyridinyl]cyclopropanecarboxamide
CID 155525697
2-[5-(piperidine-4-carbonylamino)-2-pyridinyl]pyridine-4-carboxamide
CID 137352117
N-[4-[3-methyl-4-[(2R)-2-methylpyrrolidin-1-yl]phenyl]-2-pyridinyl]cyclopropanecarboxamide
CID 129261123
2-(cyclopropanecarbonylamino)-N-quinolin-3-ylpyridine-4-carboxamide
CID 118071036

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).