6-(1-phenylethoxy)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]pyridine-3-carboxamide

C24H26N4O2 — CID 47054518

IUPAC6-(1-phenylethoxy)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]pyridine-3-carboxamide
SMILESCC(Oc1ccc(C(=O)NCc2ccc(N3CCCC3)nc2)cn1)c1ccccc1
InChIInChI=1S/C24H26N4O2/c1-18(20-7-3-2-4-8-20)30-23-12-10-21(17-26-23)24(29)27-16-19-9-11-22(25-15-19)28-13-5-6-14-28/h2-4,7-12,15,17-18H,5-6,13-14,16H2,1H3,(H,27,29)
InChIKeyIHSSUJHHQLEMAR-UHFFFAOYSA-N
MW402.50 g/mol
LogP4.15
Rot. Bonds7

About 6-(1-phenylethoxy)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]pyridine-3-carboxamide

6-(1-phenylethoxy)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]pyridine-3-carboxamide (PubChem CID 47054518) has the molecular formula C24H26N4O2 and a molecular weight of 402.50 g/mol. Its IUPAC name is 6-(1-phenylethoxy)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(1-phenylethoxy)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]pyridine-3-carboxamide
PubChem CID47054518
Molecular FormulaC24H26N4O2
Molecular Weight402.50 g/mol
Exact Mass402.21
IUPAC Name6-(1-phenylethoxy)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]pyridine-3-carboxamide
SMILESCC(Oc1ccc(C(=O)NCc2ccc(N3CCCC3)nc2)cn1)c1ccccc1
InChIInChI=1S/C24H26N4O2/c1-18(20-7-3-2-4-8-20)30-23-12-10-21(17-26-23)24(29)27-16-19-9-11-22(25-15-19)28-13-5-6-14-28/h2-4,7-12,15,17-18H,5-6,13-14,16H2,1H3,(H,27,29)
InChIKeyIHSSUJHHQLEMAR-UHFFFAOYSA-N
XLogP4.15
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-(1-phenylethoxy)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]pyridine-3-carboxamide with MolForge

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Related Compounds

4-ethyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide
CID 38528026
2-amino-2-phenyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]acetamide
CID 119399543
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-4-ethylbenzamide
CID 71842562
N-[(2-piperidin-1-yl-4-pyridinyl)methyl]-6-propan-2-yloxypyridine-3-carboxamide
CID 87005288
3-amino-N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2-methyl-3-phenylpropanamide;dihydrochloride
CID 119846505
6-[(1R)-1-phenylethoxy]-N-[2-(4-phenylpiperazin-1-yl)ethyl]pyridine-3-carboxamide
CID 51964432
N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-6-[(1S)-1-phenylethoxy]pyridine-3-carboxamide
CID 95151089
2-phenylmethoxy-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]propanamide
CID 55745613
2-methyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]butanamide
CID 46598711
1-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-benzhydrylurea
CID 60546666
N-[[6-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methyl]-4-phenoxybenzamide
CID 47050637
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-(difluoromethoxy)benzamide
CID 55749833

Frequently Asked Questions

What is the IUPAC name of 6-(1-phenylethoxy)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]pyridine-3-carboxamide?
The IUPAC name of 6-(1-phenylethoxy)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]pyridine-3-carboxamide (CID 47054518) is 6-(1-phenylethoxy)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(1-phenylethoxy)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 6-(1-phenylethoxy)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]pyridine-3-carboxamide is CC(Oc1ccc(C(=O)NCc2ccc(N3CCCC3)nc2)cn1)c1ccccc1.
What is the InChIKey of 6-(1-phenylethoxy)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]pyridine-3-carboxamide?
The InChIKey is IHSSUJHHQLEMAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2/c1-18(20-7-3-2-4-8-20)30-23-12-10-21(17-26-23)24(29)27-16-19-9-11-22(25-15-19)28-13-5-6-14-28/h2-4,7-12,15,17-18H,5-6,13-14,16H2,1H3,(H,27,29).
What are the key properties of 6-(1-phenylethoxy)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]pyridine-3-carboxamide?
6-(1-phenylethoxy)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]pyridine-3-carboxamide has a molecular weight of 402.50 g/mol, XLogP of 4.15, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-phenylethoxy)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 47054518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).