N-[3-[4-(3,4-dichlorophenoxy)piperidin-1-yl]-2-hydroxypropyl]-6-oxo-1H-pyridine-3-carboxamide

C20H23Cl2N3O4 — CID 91598878

IUPACN-[3-[4-(3,4-dichlorophenoxy)piperidin-1-yl]-2-hydroxypropyl]-6-oxo-1H-pyridine-3-carboxamide
SMILESO=C(NCC(O)CN1CCC(Oc2ccc(Cl)c(Cl)c2)CC1)c1ccc(=O)[nH]c1
InChIInChI=1S/C20H23Cl2N3O4/c21-17-3-2-16(9-18(17)22)29-15-5-7-25(8-6-15)12-14(26)11-24-20(28)13-1-4-19(27)23-10-13/h1-4,9-10,14-15,26H,5-8,11-12H2,(H,23,27)(H,24,28)
InChIKeyPSKSNKCJNFIORU-UHFFFAOYSA-N
MW440.33 g/mol
LogP2.32
Rot. Bonds7

About N-[3-[4-(3,4-dichlorophenoxy)piperidin-1-yl]-2-hydroxypropyl]-6-oxo-1H-pyridine-3-carboxamide

N-[3-[4-(3,4-dichlorophenoxy)piperidin-1-yl]-2-hydroxypropyl]-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 91598878) has the molecular formula C20H23Cl2N3O4 and a molecular weight of 440.33 g/mol. Its IUPAC name is N-[3-[4-(3,4-dichlorophenoxy)piperidin-1-yl]-2-hydroxypropyl]-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[4-(3,4-dichlorophenoxy)piperidin-1-yl]-2-hydroxypropyl]-6-oxo-1H-pyridine-3-carboxamide
PubChem CID91598878
Molecular FormulaC20H23Cl2N3O4
Molecular Weight440.33 g/mol
Exact Mass439.11
IUPAC NameN-[3-[4-(3,4-dichlorophenoxy)piperidin-1-yl]-2-hydroxypropyl]-6-oxo-1H-pyridine-3-carboxamide
SMILESO=C(NCC(O)CN1CCC(Oc2ccc(Cl)c(Cl)c2)CC1)c1ccc(=O)[nH]c1
InChIInChI=1S/C20H23Cl2N3O4/c21-17-3-2-16(9-18(17)22)29-15-5-7-25(8-6-15)12-14(26)11-24-20(28)13-1-4-19(27)23-10-13/h1-4,9-10,14-15,26H,5-8,11-12H2,(H,23,27)(H,24,28)
InChIKeyPSKSNKCJNFIORU-UHFFFAOYSA-N
XLogP2.32
TPSA94.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.33
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[3-[4-(3,4-dichlorophenoxy)piperidin-1-yl]-2-hydroxypropyl]-6-oxo-1H-pyridine-3-carboxamide with MolForge

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Related Compounds

N-[3-[4-(3,4-dichlorophenoxy)piperidin-1-yl]-2-hydroxypropyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 91510380
N-[(2R)-3-[4-(3,4-dichlorophenoxy)piperidin-1-yl]-2-hydroxypropyl]-3-(dimethylamino)benzamide
CID 68580411
N-[(2R)-3-[4-(3,4-dichlorophenoxy)piperidin-1-yl]-2-hydroxypropyl]-2-oxo-1H-quinoline-4-carboxamide
CID 59295994
N-[(2R)-3-[4-(3,4-dichlorophenoxy)piperidin-1-yl]-2-hydroxypropyl]quinoline-2-carboxamide
CID 68583175
5-cyclopropyl-N-[(2R)-3-[4-(3,4-dichlorophenoxy)piperidin-1-yl]-2-hydroxypropyl]-1H-pyrazole-4-carboxamide
CID 71459762
N-[(2R)-3-[4-(3,4-dichlorophenoxy)piperidin-1-yl]-2-hydroxypropyl]-2-oxo-4-(trifluoromethyl)-3H-1,3-oxazole-5-carboxamide
CID 11329480
6-chloro-N-[(2R)-3-[4-(3,4-dichlorophenoxy)piperidin-1-yl]-2-hydroxypropyl]-4-(trifluoromethyl)pyridine-3-carboxamide
CID 86611245
(E)-3-amino-N-[(2R)-3-[4-(3,4-dichlorophenoxy)piperidin-1-yl]-2-hydroxypropyl]-2-methanimidoylprop-2-enamide
CID 142274557
4-amino-N-[4-[4-(3,4-dichlorophenoxy)piperidin-1-yl]-3-hydroxybutyl]-3-methoxybenzamide
CID 59296068
N-[(2S)-3-[4-(3,4-dichlorophenoxy)piperidin-1-yl]-2-hydroxypropyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide
CID 68581624
2-chloro-5-[[(2R)-3-[4-(3,4-dichloro-2-methylphenoxy)piperidin-1-yl]-2-hydroxypropyl]carbamoyl]benzoic acid
CID 11226087
N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]naphthalene-2-carboxamide
CID 22322216

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(3,4-dichlorophenoxy)piperidin-1-yl]-2-hydroxypropyl]-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[3-[4-(3,4-dichlorophenoxy)piperidin-1-yl]-2-hydroxypropyl]-6-oxo-1H-pyridine-3-carboxamide (CID 91598878) is N-[3-[4-(3,4-dichlorophenoxy)piperidin-1-yl]-2-hydroxypropyl]-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[3-[4-(3,4-dichlorophenoxy)piperidin-1-yl]-2-hydroxypropyl]-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[3-[4-(3,4-dichlorophenoxy)piperidin-1-yl]-2-hydroxypropyl]-6-oxo-1H-pyridine-3-carboxamide is O=C(NCC(O)CN1CCC(Oc2ccc(Cl)c(Cl)c2)CC1)c1ccc(=O)[nH]c1.
What is the InChIKey of N-[3-[4-(3,4-dichlorophenoxy)piperidin-1-yl]-2-hydroxypropyl]-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is PSKSNKCJNFIORU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23Cl2N3O4/c21-17-3-2-16(9-18(17)22)29-15-5-7-25(8-6-15)12-14(26)11-24-20(28)13-1-4-19(27)23-10-13/h1-4,9-10,14-15,26H,5-8,11-12H2,(H,23,27)(H,24,28).
What are the key properties of N-[3-[4-(3,4-dichlorophenoxy)piperidin-1-yl]-2-hydroxypropyl]-6-oxo-1H-pyridine-3-carboxamide?
N-[3-[4-(3,4-dichlorophenoxy)piperidin-1-yl]-2-hydroxypropyl]-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 440.33 g/mol, XLogP of 2.32, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(3,4-dichlorophenoxy)piperidin-1-yl]-2-hydroxypropyl]-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 91598878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).