N-[[3-(ethoxymethyl)-1-[2-(6-methyl-3-pyridinyl)propan-2-yl]pyrrolidin-3-yl]methyl]-N-[2-(methylamino)phenyl]formamide

C25H36N4O2 — CID 162430689

IUPACN-[[3-(ethoxymethyl)-1-[2-(6-methyl-3-pyridinyl)propan-2-yl]pyrrolidin-3-yl]methyl]-N-[2-(methylamino)phenyl]formamide
SMILESCCOCC1(CN(C=O)c2ccccc2NC)CCN(C(C)(C)c2ccc(C)nc2)C1
InChIInChI=1S/C25H36N4O2/c1-6-31-18-25(16-28(19-30)23-10-8-7-9-22(23)26-5)13-14-29(17-25)24(3,4)21-12-11-20(2)27-15-21/h7-12,15,19,26H,6,13-14,16-18H2,1-5H3
InChIKeyIQVTYXCYFQNQES-UHFFFAOYSA-N
MW424.59 g/mol
LogP4.06
Rot. Bonds10

About N-[[3-(ethoxymethyl)-1-[2-(6-methyl-3-pyridinyl)propan-2-yl]pyrrolidin-3-yl]methyl]-N-[2-(methylamino)phenyl]formamide

N-[[3-(ethoxymethyl)-1-[2-(6-methyl-3-pyridinyl)propan-2-yl]pyrrolidin-3-yl]methyl]-N-[2-(methylamino)phenyl]formamide (PubChem CID 162430689) has the molecular formula C25H36N4O2 and a molecular weight of 424.59 g/mol. Its IUPAC name is N-[[3-(ethoxymethyl)-1-[2-(6-methyl-3-pyridinyl)propan-2-yl]pyrrolidin-3-yl]methyl]-N-[2-(methylamino)phenyl]formamide.

Molecular Properties

Compound NameN-[[3-(ethoxymethyl)-1-[2-(6-methyl-3-pyridinyl)propan-2-yl]pyrrolidin-3-yl]methyl]-N-[2-(methylamino)phenyl]formamide
PubChem CID162430689
Molecular FormulaC25H36N4O2
Molecular Weight424.59 g/mol
Exact Mass424.28
IUPAC NameN-[[3-(ethoxymethyl)-1-[2-(6-methyl-3-pyridinyl)propan-2-yl]pyrrolidin-3-yl]methyl]-N-[2-(methylamino)phenyl]formamide
SMILESCCOCC1(CN(C=O)c2ccccc2NC)CCN(C(C)(C)c2ccc(C)nc2)C1
InChIInChI=1S/C25H36N4O2/c1-6-31-18-25(16-28(19-30)23-10-8-7-9-22(23)26-5)13-14-29(17-25)24(3,4)21-12-11-20(2)27-15-21/h7-12,15,19,26H,6,13-14,16-18H2,1-5H3
InChIKeyIQVTYXCYFQNQES-UHFFFAOYSA-N
XLogP4.06
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.59
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

5-[2-[3-(ethoxymethyl)-3-(2-phenylethyl)pyrrolidin-1-yl]propan-2-yl]-2-methylpyridine
CID 135322558
1-[2-[(3S)-3-(ethoxymethyl)-1-[2-(6-methyl-3-pyridinyl)propan-2-yl]pyrrolidin-3-yl]ethyl]-3-methylurea
CID 166506621
5-[2-[(3S)-3-(ethoxymethyl)-1-[2-(6-methyl-3-pyridinyl)propan-2-yl]pyrrolidin-3-yl]ethyl]-1H-pyridin-2-one
CID 166506556
2-[2-[(3S)-3-(ethoxymethyl)-1-[2-(6-methyl-3-pyridinyl)propan-2-yl]pyrrolidin-3-yl]ethyl]-4-methyl-1,3-thiazole
CID 166506707
1-[[(3R)-3-(ethoxymethyl)-1-[2-(6-methyl-3-pyridinyl)propan-2-yl]pyrrolidin-3-yl]methyl]imidazo[4,5-c]pyridine
CID 175820995
5-[2-[3-[2-(4-chlorothiophen-3-yl)ethyl]-3-(ethoxymethyl)pyrrolidin-1-yl]propan-2-yl]-2-methylpyridine
CID 162430520
1-[[(3R)-3-(ethoxymethyl)-1-[2-(6-methyl-3-pyridinyl)propan-2-yl]pyrrolidin-3-yl]methyl]-3-ethyl-5,6-difluorobenzimidazol-2-one
CID 175820961
5-[2-[3-(ethoxymethyl)-3-[2-(4-isocyanothiophen-3-yl)ethyl]pyrrolidin-1-yl]propan-2-yl]-2-methylpyridine
CID 166571768
7-[2-[(3R)-3-(ethoxymethyl)-1-[2-(6-methyl-3-pyridinyl)propan-2-yl]pyrrolidin-3-yl]ethyl]-5-fluorothieno[3,4-b]pyrazine
CID 175820651
1-[2-[3-(ethoxymethyl)-1-[2-(6-methyl-3-pyridinyl)propan-2-yl]pyrrolidin-3-yl]ethyl]-5,6-difluoro-3-(2-methylpropyl)benzimidazol-2-one
CID 162430367
1-[2-[3-(ethoxymethyl)-1-[2-(6-methyl-3-pyridinyl)propan-2-yl]pyrrolidin-3-yl]ethyl]-3-ethyl-5,6-difluoro-4,5-dihydrobenzimidazol-2-one
CID 162430574
1-[[(3R)-3-(ethoxymethyl)-1-[2-(6-methyl-3-pyridinyl)propan-2-yl]pyrrolidin-3-yl]methyl]imidazo[4,5-c]pyridine;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 175820994

Frequently Asked Questions

What is the IUPAC name of N-[[3-(ethoxymethyl)-1-[2-(6-methyl-3-pyridinyl)propan-2-yl]pyrrolidin-3-yl]methyl]-N-[2-(methylamino)phenyl]formamide?
The IUPAC name of N-[[3-(ethoxymethyl)-1-[2-(6-methyl-3-pyridinyl)propan-2-yl]pyrrolidin-3-yl]methyl]-N-[2-(methylamino)phenyl]formamide (CID 162430689) is N-[[3-(ethoxymethyl)-1-[2-(6-methyl-3-pyridinyl)propan-2-yl]pyrrolidin-3-yl]methyl]-N-[2-(methylamino)phenyl]formamide.
What is the SMILES notation for N-[[3-(ethoxymethyl)-1-[2-(6-methyl-3-pyridinyl)propan-2-yl]pyrrolidin-3-yl]methyl]-N-[2-(methylamino)phenyl]formamide?
The canonical SMILES for N-[[3-(ethoxymethyl)-1-[2-(6-methyl-3-pyridinyl)propan-2-yl]pyrrolidin-3-yl]methyl]-N-[2-(methylamino)phenyl]formamide is CCOCC1(CN(C=O)c2ccccc2NC)CCN(C(C)(C)c2ccc(C)nc2)C1.
What is the InChIKey of N-[[3-(ethoxymethyl)-1-[2-(6-methyl-3-pyridinyl)propan-2-yl]pyrrolidin-3-yl]methyl]-N-[2-(methylamino)phenyl]formamide?
The InChIKey is IQVTYXCYFQNQES-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N4O2/c1-6-31-18-25(16-28(19-30)23-10-8-7-9-22(23)26-5)13-14-29(17-25)24(3,4)21-12-11-20(2)27-15-21/h7-12,15,19,26H,6,13-14,16-18H2,1-5H3.
What are the key properties of N-[[3-(ethoxymethyl)-1-[2-(6-methyl-3-pyridinyl)propan-2-yl]pyrrolidin-3-yl]methyl]-N-[2-(methylamino)phenyl]formamide?
N-[[3-(ethoxymethyl)-1-[2-(6-methyl-3-pyridinyl)propan-2-yl]pyrrolidin-3-yl]methyl]-N-[2-(methylamino)phenyl]formamide has a molecular weight of 424.59 g/mol, XLogP of 4.06, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(ethoxymethyl)-1-[2-(6-methyl-3-pyridinyl)propan-2-yl]pyrrolidin-3-yl]methyl]-N-[2-(methylamino)phenyl]formamide is sourced from PubChem (CID 162430689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).