2-(methylamino)-N-[(1S)-1-pyridin-4-ylethyl]acetamide

C10H15N3O — CID 81409723

IUPAC2-(methylamino)-N-[(1S)-1-pyridin-4-ylethyl]acetamide
SMILESCNCC(=O)N[C@@H](C)c1ccncc1
InChIInChI=1S/C10H15N3O/c1-8(13-10(14)7-11-2)9-3-5-12-6-4-9/h3-6,8,11H,7H2,1-2H3,(H,13,14)/t8-/m0/s1
InChIKeyHIPMGMSCHAIAGX-QMMMGPOBSA-N
MW193.25 g/mol
LogP0.48
Rot. Bonds4

About 2-(methylamino)-N-[(1S)-1-pyridin-4-ylethyl]acetamide

2-(methylamino)-N-[(1S)-1-pyridin-4-ylethyl]acetamide (PubChem CID 81409723) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 2-(methylamino)-N-[(1S)-1-pyridin-4-ylethyl]acetamide.

Molecular Properties

Compound Name2-(methylamino)-N-[(1S)-1-pyridin-4-ylethyl]acetamide
PubChem CID81409723
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name2-(methylamino)-N-[(1S)-1-pyridin-4-ylethyl]acetamide
SMILESCNCC(=O)N[C@@H](C)c1ccncc1
InChIInChI=1S/C10H15N3O/c1-8(13-10(14)7-11-2)9-3-5-12-6-4-9/h3-6,8,11H,7H2,1-2H3,(H,13,14)/t8-/m0/s1
InChIKeyHIPMGMSCHAIAGX-QMMMGPOBSA-N
XLogP0.48
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(methylamino)-N-[1-(4-pyridin-4-ylphenyl)ethyl]acetamide
CID 120704833
2-amino-N-[2-oxo-2-(1-pyridin-4-ylethylamino)ethyl]acetamide
CID 60848302
2-(butan-2-ylamino)-N-[(1S)-1-pyridin-4-ylethyl]acetamide
CID 81409809
2-(methylamino)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]acetamide
CID 43711973
N-(1-pyridin-4-ylethyl)pentanamide
CID 17330746
3-methyl-5-oxo-5-(1-pyridin-4-ylethylamino)pentanoic acid
CID 62966418
2-(methylamino)-N-[1-(4-pyridin-3-ylphenyl)ethyl]acetamide
CID 120704866
2-(4-methylphenyl)-N-(1-pyridin-4-ylethyl)acetamide
CID 17168099
3-(ethylamino)-N-[(1R)-1-pyridin-4-ylethyl]propanamide
CID 81410608
5-chloro-N-[(1R)-1-pyridin-4-ylethyl]pentanamide
CID 81405502
N-[(S)-(4-chlorophenyl)-pyridin-4-ylmethyl]-2-(methylamino)acetamide
CID 95555613
5-amino-4-methyl-N-(1-pyridin-4-ylethyl)pentanamide
CID 82016946

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-[(1S)-1-pyridin-4-ylethyl]acetamide?
The IUPAC name of 2-(methylamino)-N-[(1S)-1-pyridin-4-ylethyl]acetamide (CID 81409723) is 2-(methylamino)-N-[(1S)-1-pyridin-4-ylethyl]acetamide.
What is the SMILES notation for 2-(methylamino)-N-[(1S)-1-pyridin-4-ylethyl]acetamide?
The canonical SMILES for 2-(methylamino)-N-[(1S)-1-pyridin-4-ylethyl]acetamide is CNCC(=O)N[C@@H](C)c1ccncc1.
What is the InChIKey of 2-(methylamino)-N-[(1S)-1-pyridin-4-ylethyl]acetamide?
The InChIKey is HIPMGMSCHAIAGX-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H15N3O/c1-8(13-10(14)7-11-2)9-3-5-12-6-4-9/h3-6,8,11H,7H2,1-2H3,(H,13,14)/t8-/m0/s1.
What are the key properties of 2-(methylamino)-N-[(1S)-1-pyridin-4-ylethyl]acetamide?
2-(methylamino)-N-[(1S)-1-pyridin-4-ylethyl]acetamide has a molecular weight of 193.25 g/mol, XLogP of 0.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-[(1S)-1-pyridin-4-ylethyl]acetamide is sourced from PubChem (CID 81409723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).