2-[(1-benzylpiperidin-4-yl)amino]-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide

C24H33N5O2 — CID 71495429

IUPAC2-[(1-benzylpiperidin-4-yl)amino]-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide
SMILESO=C(NCCN1CCOCC1)c1cccnc1NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C24H33N5O2/c30-24(26-11-14-28-15-17-31-18-16-28)22-7-4-10-25-23(22)27-21-8-12-29(13-9-21)19-20-5-2-1-3-6-20/h1-7,10,21H,8-9,11-19H2,(H,25,27)(H,26,30)
InChIKeyLEMTXMZVAXJELG-UHFFFAOYSA-N
MW423.56 g/mol
LogP2.22
Rot. Bonds8

About 2-[(1-benzylpiperidin-4-yl)amino]-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide

2-[(1-benzylpiperidin-4-yl)amino]-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide (PubChem CID 71495429) has the molecular formula C24H33N5O2 and a molecular weight of 423.56 g/mol. Its IUPAC name is 2-[(1-benzylpiperidin-4-yl)amino]-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[(1-benzylpiperidin-4-yl)amino]-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide
PubChem CID71495429
Molecular FormulaC24H33N5O2
Molecular Weight423.56 g/mol
Exact Mass423.26
IUPAC Name2-[(1-benzylpiperidin-4-yl)amino]-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide
SMILESO=C(NCCN1CCOCC1)c1cccnc1NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C24H33N5O2/c30-24(26-11-14-28-15-17-31-18-16-28)22-7-4-10-25-23(22)27-21-8-12-29(13-9-21)19-20-5-2-1-3-6-20/h1-7,10,21H,8-9,11-19H2,(H,25,27)(H,26,30)
InChIKeyLEMTXMZVAXJELG-UHFFFAOYSA-N
XLogP2.22
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.56
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(1-benzylpiperidin-4-yl)amino]-N-(3-methylphenyl)pyridine-3-carboxamide
CID 90394099
N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide
CID 977791
N-[2-(4-methylpiperidin-1-yl)ethyl]-2-morpholin-4-ylpyridine-3-carboxamide
CID 51082187
N-(2-morpholin-4-ylethyl)quinoline-8-carboxamide
CID 30370396
2-chloro-N-(2-morpholin-4-ylethyl)benzamide
CID 799090
2-benzyl-N-(2-morpholin-4-ylethyl)benzamide
CID 51159471
2-amino-N-(1-benzylpiperidin-4-yl)pyridine-3-carboxamide
CID 110451976
3-chloro-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide
CID 71690241
[2-[[1-[(3-hydroxyphenyl)methyl]piperidin-4-yl]amino]-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 135105421
N-[2-(4-benzylpiperazin-1-yl)ethyl]-2-bromobenzamide
CID 14762566
N-(1-benzylpiperidin-4-yl)-6-(2-morpholin-4-ylethylsulfanyl)pyridine-3-carboxamide
CID 46377991
2-(methylamino)-N-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide
CID 55211981

Frequently Asked Questions

What is the IUPAC name of 2-[(1-benzylpiperidin-4-yl)amino]-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide?
The IUPAC name of 2-[(1-benzylpiperidin-4-yl)amino]-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide (CID 71495429) is 2-[(1-benzylpiperidin-4-yl)amino]-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-[(1-benzylpiperidin-4-yl)amino]-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-[(1-benzylpiperidin-4-yl)amino]-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide is O=C(NCCN1CCOCC1)c1cccnc1NC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 2-[(1-benzylpiperidin-4-yl)amino]-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide?
The InChIKey is LEMTXMZVAXJELG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N5O2/c30-24(26-11-14-28-15-17-31-18-16-28)22-7-4-10-25-23(22)27-21-8-12-29(13-9-21)19-20-5-2-1-3-6-20/h1-7,10,21H,8-9,11-19H2,(H,25,27)(H,26,30).
What are the key properties of 2-[(1-benzylpiperidin-4-yl)amino]-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide?
2-[(1-benzylpiperidin-4-yl)amino]-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide has a molecular weight of 423.56 g/mol, XLogP of 2.22, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-benzylpiperidin-4-yl)amino]-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide is sourced from PubChem (CID 71495429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).