2-(1-methylpyrrolidin-2-yl)-N-[2-(pyridin-3-ylamino)ethyl]acetamide

C14H22N4O — CID 74233941

IUPAC2-(1-methylpyrrolidin-2-yl)-N-[2-(pyridin-3-ylamino)ethyl]acetamide
SMILESCN1CCCC1CC(=O)NCCNc1cccnc1
InChIInChI=1S/C14H22N4O/c1-18-9-3-5-13(18)10-14(19)17-8-7-16-12-4-2-6-15-11-12/h2,4,6,11,13,16H,3,5,7-10H2,1H3,(H,17,19)
InChIKeyVNINAVWPEKPVBA-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.09
Rot. Bonds6

About 2-(1-methylpyrrolidin-2-yl)-N-[2-(pyridin-3-ylamino)ethyl]acetamide

2-(1-methylpyrrolidin-2-yl)-N-[2-(pyridin-3-ylamino)ethyl]acetamide (PubChem CID 74233941) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 2-(1-methylpyrrolidin-2-yl)-N-[2-(pyridin-3-ylamino)ethyl]acetamide.

Molecular Properties

Compound Name2-(1-methylpyrrolidin-2-yl)-N-[2-(pyridin-3-ylamino)ethyl]acetamide
PubChem CID74233941
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name2-(1-methylpyrrolidin-2-yl)-N-[2-(pyridin-3-ylamino)ethyl]acetamide
SMILESCN1CCCC1CC(=O)NCCNc1cccnc1
InChIInChI=1S/C14H22N4O/c1-18-9-3-5-13(18)10-14(19)17-8-7-16-12-4-2-6-15-11-12/h2,4,6,11,13,16H,3,5,7-10H2,1H3,(H,17,19)
InChIKeyVNINAVWPEKPVBA-UHFFFAOYSA-N
XLogP1.09
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(1-methylpyrrolidin-2-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 110851953
1-methyl-N-[3-(pyridin-3-ylamino)propyl]azepane-2-carboxamide
CID 72889342
2-[(2S)-1-methylpiperidin-2-yl]-N-[2-(2H-triazol-4-yl)ethyl]acetamide
CID 126449965
tert-butyl (2S)-2-[(pyridin-3-ylamino)methyl]pyrrolidine-1-carboxylate
CID 10564494
1-(methoxymethyl)-N-[2-(pyridin-3-ylamino)ethyl]cyclobutane-1-carboxamide
CID 74243882
3-methoxypyridine;N-[(1-methylpyrrolidin-2-yl)methyl]acetamide
CID 54177761
N-(2,6-difluorophenyl)-2-(1-methylpyrrolidin-2-yl)acetamide
CID 110865261
N-(4-tert-butylphenyl)-2-(1-methylpyrrolidin-2-yl)acetamide
CID 110858473
N-(4-methylphenyl)-2-(1-methylpyrrolidin-2-yl)acetamide
CID 110856788
N-(3,4-dimethylphenyl)-2-(1-methylpyrrolidin-2-yl)acetamide
CID 110857374
1-methyl-5-phenyl-N-[2-(pyridin-3-ylamino)ethyl]pyrrole-2-carboxamide
CID 77085057
3-methoxy-4-(1-methylpiperidin-4-yl)oxy-N-[2-(pyridin-3-ylamino)ethyl]benzamide
CID 72928105

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrrolidin-2-yl)-N-[2-(pyridin-3-ylamino)ethyl]acetamide?
The IUPAC name of 2-(1-methylpyrrolidin-2-yl)-N-[2-(pyridin-3-ylamino)ethyl]acetamide (CID 74233941) is 2-(1-methylpyrrolidin-2-yl)-N-[2-(pyridin-3-ylamino)ethyl]acetamide.
What is the SMILES notation for 2-(1-methylpyrrolidin-2-yl)-N-[2-(pyridin-3-ylamino)ethyl]acetamide?
The canonical SMILES for 2-(1-methylpyrrolidin-2-yl)-N-[2-(pyridin-3-ylamino)ethyl]acetamide is CN1CCCC1CC(=O)NCCNc1cccnc1.
What is the InChIKey of 2-(1-methylpyrrolidin-2-yl)-N-[2-(pyridin-3-ylamino)ethyl]acetamide?
The InChIKey is VNINAVWPEKPVBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-18-9-3-5-13(18)10-14(19)17-8-7-16-12-4-2-6-15-11-12/h2,4,6,11,13,16H,3,5,7-10H2,1H3,(H,17,19).
What are the key properties of 2-(1-methylpyrrolidin-2-yl)-N-[2-(pyridin-3-ylamino)ethyl]acetamide?
2-(1-methylpyrrolidin-2-yl)-N-[2-(pyridin-3-ylamino)ethyl]acetamide has a molecular weight of 262.36 g/mol, XLogP of 1.09, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrrolidin-2-yl)-N-[2-(pyridin-3-ylamino)ethyl]acetamide is sourced from PubChem (CID 74233941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).