N,N-diethyl-5-(7-hydroxyspiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine]-1-yl)pyridine-2-carboxamide

C24H31N3O2 — CID 11956101

IUPACN,N-diethyl-5-(7-hydroxyspiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine]-1-yl)pyridine-2-carboxamide
SMILESCCN(CC)C(=O)c1ccc(C2CC3(CCNCC3)Cc3ccc(O)cc32)cn1
InChIInChI=1S/C24H31N3O2/c1-3-27(4-2)23(29)22-8-6-18(16-26-22)21-15-24(9-11-25-12-10-24)14-17-5-7-19(28)13-20(17)21/h5-8,13,16,21,25,28H,3-4,9-12,14-15H2,1-2H3
InChIKeyMHEXXGICKXSMNP-UHFFFAOYSA-N
MW393.53 g/mol
LogP3.72
Rot. Bonds4

About N,N-diethyl-5-(7-hydroxyspiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine]-1-yl)pyridine-2-carboxamide

N,N-diethyl-5-(7-hydroxyspiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine]-1-yl)pyridine-2-carboxamide (PubChem CID 11956101) has the molecular formula C24H31N3O2 and a molecular weight of 393.53 g/mol. Its IUPAC name is N,N-diethyl-5-(7-hydroxyspiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine]-1-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-5-(7-hydroxyspiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine]-1-yl)pyridine-2-carboxamide
PubChem CID11956101
Molecular FormulaC24H31N3O2
Molecular Weight393.53 g/mol
Exact Mass393.24
IUPAC NameN,N-diethyl-5-(7-hydroxyspiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine]-1-yl)pyridine-2-carboxamide
SMILESCCN(CC)C(=O)c1ccc(C2CC3(CCNCC3)Cc3ccc(O)cc32)cn1
InChIInChI=1S/C24H31N3O2/c1-3-27(4-2)23(29)22-8-6-18(16-26-22)21-15-24(9-11-25-12-10-24)14-17-5-7-19(28)13-20(17)21/h5-8,13,16,21,25,28H,3-4,9-12,14-15H2,1-2H3
InChIKeyMHEXXGICKXSMNP-UHFFFAOYSA-N
XLogP3.72
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-5-(7-hydroxyspiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine]-1-yl)pyridine-2-carboxamide?
The IUPAC name of N,N-diethyl-5-(7-hydroxyspiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine]-1-yl)pyridine-2-carboxamide (CID 11956101) is N,N-diethyl-5-(7-hydroxyspiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine]-1-yl)pyridine-2-carboxamide.
What is the SMILES notation for N,N-diethyl-5-(7-hydroxyspiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine]-1-yl)pyridine-2-carboxamide?
The canonical SMILES for N,N-diethyl-5-(7-hydroxyspiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine]-1-yl)pyridine-2-carboxamide is CCN(CC)C(=O)c1ccc(C2CC3(CCNCC3)Cc3ccc(O)cc32)cn1.
What is the InChIKey of N,N-diethyl-5-(7-hydroxyspiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine]-1-yl)pyridine-2-carboxamide?
The InChIKey is MHEXXGICKXSMNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O2/c1-3-27(4-2)23(29)22-8-6-18(16-26-22)21-15-24(9-11-25-12-10-24)14-17-5-7-19(28)13-20(17)21/h5-8,13,16,21,25,28H,3-4,9-12,14-15H2,1-2H3.
What are the key properties of N,N-diethyl-5-(7-hydroxyspiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine]-1-yl)pyridine-2-carboxamide?
N,N-diethyl-5-(7-hydroxyspiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine]-1-yl)pyridine-2-carboxamide has a molecular weight of 393.53 g/mol, XLogP of 3.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-5-(7-hydroxyspiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine]-1-yl)pyridine-2-carboxamide is sourced from PubChem (CID 11956101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).