N-[2-(propan-2-ylamino)ethyl]-2-pyridin-2-ylacetamide

C12H19N3O — CID 62658246

IUPACN-[2-(propan-2-ylamino)ethyl]-2-pyridin-2-ylacetamide
SMILESCC(C)NCCNC(=O)Cc1ccccn1
InChIInChI=1S/C12H19N3O/c1-10(2)13-7-8-15-12(16)9-11-5-3-4-6-14-11/h3-6,10,13H,7-9H2,1-2H3,(H,15,16)
InChIKeyPMFGVBUUJAVWDU-UHFFFAOYSA-N
MW221.30 g/mol
LogP0.74
Rot. Bonds6

About N-[2-(propan-2-ylamino)ethyl]-2-pyridin-2-ylacetamide

N-[2-(propan-2-ylamino)ethyl]-2-pyridin-2-ylacetamide (PubChem CID 62658246) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is N-[2-(propan-2-ylamino)ethyl]-2-pyridin-2-ylacetamide.

Molecular Properties

Compound NameN-[2-(propan-2-ylamino)ethyl]-2-pyridin-2-ylacetamide
PubChem CID62658246
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC NameN-[2-(propan-2-ylamino)ethyl]-2-pyridin-2-ylacetamide
SMILESCC(C)NCCNC(=O)Cc1ccccn1
InChIInChI=1S/C12H19N3O/c1-10(2)13-7-8-15-12(16)9-11-5-3-4-6-14-11/h3-6,10,13H,7-9H2,1-2H3,(H,15,16)
InChIKeyPMFGVBUUJAVWDU-UHFFFAOYSA-N
XLogP0.74
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(ethylamino)ethyl]-2-pyridin-2-ylacetamide
CID 62659164
N-(3-hydroxy-2-methylpropyl)-2-pyridin-2-ylacetamide
CID 65037494
N-[2-(2-fluorophenyl)ethyl]-2-pyridin-2-ylacetamide
CID 110696924
ethane;2-methyl-N-(2-pyridin-2-ylethyl)propanamide
CID 142112887
2-methyl-N-[2-(pyridin-2-ylmethylcarbamoylamino)ethyl]propanamide
CID 47126081
N-(4-hydroxybutan-2-yl)-2-pyridin-2-ylacetamide
CID 83188668
methane;3-methyl-1-pyridin-2-ylbutan-2-one
CID 159764567
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-pyridin-2-ylacetamide
CID 79246224
N-(3-azidopropyl)-2-pyridin-2-ylacetamide
CID 55139148
ethyl 2-[(2-pyridin-2-ylacetyl)amino]acetate
CID 55026375
3-hydroxy-2-[(2-pyridin-2-ylacetyl)amino]butanoic acid
CID 43151207
N-[2,2-dimethyl-3-(methylamino)propyl]-2-pyridin-2-ylacetamide
CID 115271190

Frequently Asked Questions

What is the IUPAC name of N-[2-(propan-2-ylamino)ethyl]-2-pyridin-2-ylacetamide?
The IUPAC name of N-[2-(propan-2-ylamino)ethyl]-2-pyridin-2-ylacetamide (CID 62658246) is N-[2-(propan-2-ylamino)ethyl]-2-pyridin-2-ylacetamide.
What is the SMILES notation for N-[2-(propan-2-ylamino)ethyl]-2-pyridin-2-ylacetamide?
The canonical SMILES for N-[2-(propan-2-ylamino)ethyl]-2-pyridin-2-ylacetamide is CC(C)NCCNC(=O)Cc1ccccn1.
What is the InChIKey of N-[2-(propan-2-ylamino)ethyl]-2-pyridin-2-ylacetamide?
The InChIKey is PMFGVBUUJAVWDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-10(2)13-7-8-15-12(16)9-11-5-3-4-6-14-11/h3-6,10,13H,7-9H2,1-2H3,(H,15,16).
What are the key properties of N-[2-(propan-2-ylamino)ethyl]-2-pyridin-2-ylacetamide?
N-[2-(propan-2-ylamino)ethyl]-2-pyridin-2-ylacetamide has a molecular weight of 221.30 g/mol, XLogP of 0.74, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(propan-2-ylamino)ethyl]-2-pyridin-2-ylacetamide is sourced from PubChem (CID 62658246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).