2-[N-(pyridin-3-ylmethyl)anilino]-N-(2-pyrrolidin-3-ylethyl)acetamide

C20H26N4O — CID 119537580

IUPAC2-[N-(pyridin-3-ylmethyl)anilino]-N-(2-pyrrolidin-3-ylethyl)acetamide
SMILESO=C(CN(Cc1cccnc1)c1ccccc1)NCCC1CCNC1
InChIInChI=1S/C20H26N4O/c25-20(23-12-9-17-8-11-22-13-17)16-24(19-6-2-1-3-7-19)15-18-5-4-10-21-14-18/h1-7,10,14,17,22H,8-9,11-13,15-16H2,(H,23,25)
InChIKeyUDNNKGLKXUPPBL-UHFFFAOYSA-N
MW338.45 g/mol
LogP2.20
Rot. Bonds8

About 2-[N-(pyridin-3-ylmethyl)anilino]-N-(2-pyrrolidin-3-ylethyl)acetamide

2-[N-(pyridin-3-ylmethyl)anilino]-N-(2-pyrrolidin-3-ylethyl)acetamide (PubChem CID 119537580) has the molecular formula C20H26N4O and a molecular weight of 338.45 g/mol. Its IUPAC name is 2-[N-(pyridin-3-ylmethyl)anilino]-N-(2-pyrrolidin-3-ylethyl)acetamide.

Molecular Properties

Compound Name2-[N-(pyridin-3-ylmethyl)anilino]-N-(2-pyrrolidin-3-ylethyl)acetamide
PubChem CID119537580
Molecular FormulaC20H26N4O
Molecular Weight338.45 g/mol
Exact Mass338.21
IUPAC Name2-[N-(pyridin-3-ylmethyl)anilino]-N-(2-pyrrolidin-3-ylethyl)acetamide
SMILESO=C(CN(Cc1cccnc1)c1ccccc1)NCCC1CCNC1
InChIInChI=1S/C20H26N4O/c25-20(23-12-9-17-8-11-22-13-17)16-24(19-6-2-1-3-7-19)15-18-5-4-10-21-14-18/h1-7,10,14,17,22H,8-9,11-13,15-16H2,(H,23,25)
InChIKeyUDNNKGLKXUPPBL-UHFFFAOYSA-N
XLogP2.20
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(methylamino)propyl]-2-[N-(pyridin-3-ylmethyl)anilino]acetamide;dihydrochloride
CID 119433679
N-[(1-hydroxycyclopentyl)methyl]-2-[N-(pyridin-3-ylmethyl)anilino]acetamide
CID 111427174
N-[1-(aminomethyl)cyclopentyl]-2-[N-(pyridin-3-ylmethyl)anilino]acetamide;dihydrochloride
CID 119568018
1-(1,4-diazepan-1-yl)-2-[N-(pyridin-3-ylmethyl)anilino]ethanone
CID 119418185
2-pyridin-2-yl-N-(2-pyrrolidin-3-ylethyl)acetamide
CID 63630243
4-chloro-N-(pyridin-3-ylmethyl)-N-[[(3S)-pyrrolidin-3-yl]methyl]benzamide
CID 129343993
4-chloro-N-(pyridin-3-ylmethyl)-N-[[(3R)-pyrrolidin-3-yl]methyl]benzamide
CID 129343994
benzyl N-[2-[(3S)-pyrrolidin-3-yl]ethyl]carbamate
CID 97170433
3,5-dimethyl-4-(pyridin-3-ylmethoxy)-N-(2-pyrrolidin-3-ylethyl)benzamide;dihydrochloride
CID 119537303
tert-butyl N-[[1-[2-[N-(pyridin-3-ylmethyl)anilino]acetyl]piperidin-4-yl]methyl]carbamate
CID 86971786
2-pyrazol-1-yl-N-(2-pyrrolidin-3-ylethyl)acetamide;dihydrochloride
CID 119536549
1-(3-methylpyrrolidin-1-yl)-2-[N-(pyridin-3-ylmethyl)anilino]ethanone
CID 86971794

Frequently Asked Questions

What is the IUPAC name of 2-[N-(pyridin-3-ylmethyl)anilino]-N-(2-pyrrolidin-3-ylethyl)acetamide?
The IUPAC name of 2-[N-(pyridin-3-ylmethyl)anilino]-N-(2-pyrrolidin-3-ylethyl)acetamide (CID 119537580) is 2-[N-(pyridin-3-ylmethyl)anilino]-N-(2-pyrrolidin-3-ylethyl)acetamide.
What is the SMILES notation for 2-[N-(pyridin-3-ylmethyl)anilino]-N-(2-pyrrolidin-3-ylethyl)acetamide?
The canonical SMILES for 2-[N-(pyridin-3-ylmethyl)anilino]-N-(2-pyrrolidin-3-ylethyl)acetamide is O=C(CN(Cc1cccnc1)c1ccccc1)NCCC1CCNC1.
What is the InChIKey of 2-[N-(pyridin-3-ylmethyl)anilino]-N-(2-pyrrolidin-3-ylethyl)acetamide?
The InChIKey is UDNNKGLKXUPPBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c25-20(23-12-9-17-8-11-22-13-17)16-24(19-6-2-1-3-7-19)15-18-5-4-10-21-14-18/h1-7,10,14,17,22H,8-9,11-13,15-16H2,(H,23,25).
What are the key properties of 2-[N-(pyridin-3-ylmethyl)anilino]-N-(2-pyrrolidin-3-ylethyl)acetamide?
2-[N-(pyridin-3-ylmethyl)anilino]-N-(2-pyrrolidin-3-ylethyl)acetamide has a molecular weight of 338.45 g/mol, XLogP of 2.20, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(pyridin-3-ylmethyl)anilino]-N-(2-pyrrolidin-3-ylethyl)acetamide is sourced from PubChem (CID 119537580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).