N-[1-amino-2-(methylamino)ethyl]-2-oxo-2-(2-pyridin-4-ylpiperidin-1-yl)acetamide

C15H23N5O2 — CID 175636918

IUPACN-[1-amino-2-(methylamino)ethyl]-2-oxo-2-(2-pyridin-4-ylpiperidin-1-yl)acetamide
SMILESCNCC(N)NC(=O)C(=O)N1CCCCC1c1ccncc1
InChIInChI=1S/C15H23N5O2/c1-17-10-13(16)19-14(21)15(22)20-9-3-2-4-12(20)11-5-7-18-8-6-11/h5-8,12-13,17H,2-4,9-10,16H2,1H3,(H,19,21)
InChIKeyOKMDJIOTWMSYLR-UHFFFAOYSA-N
MW305.38 g/mol
LogP-0.24
Rot. Bonds4

About N-[1-amino-2-(methylamino)ethyl]-2-oxo-2-(2-pyridin-4-ylpiperidin-1-yl)acetamide

N-[1-amino-2-(methylamino)ethyl]-2-oxo-2-(2-pyridin-4-ylpiperidin-1-yl)acetamide (PubChem CID 175636918) has the molecular formula C15H23N5O2 and a molecular weight of 305.38 g/mol. Its IUPAC name is N-[1-amino-2-(methylamino)ethyl]-2-oxo-2-(2-pyridin-4-ylpiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[1-amino-2-(methylamino)ethyl]-2-oxo-2-(2-pyridin-4-ylpiperidin-1-yl)acetamide
PubChem CID175636918
Molecular FormulaC15H23N5O2
Molecular Weight305.38 g/mol
Exact Mass305.19
IUPAC NameN-[1-amino-2-(methylamino)ethyl]-2-oxo-2-(2-pyridin-4-ylpiperidin-1-yl)acetamide
SMILESCNCC(N)NC(=O)C(=O)N1CCCCC1c1ccncc1
InChIInChI=1S/C15H23N5O2/c1-17-10-13(16)19-14(21)15(22)20-9-3-2-4-12(20)11-5-7-18-8-6-11/h5-8,12-13,17H,2-4,9-10,16H2,1H3,(H,19,21)
InChIKeyOKMDJIOTWMSYLR-UHFFFAOYSA-N
XLogP-0.24
TPSA100.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 5-0.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-(5-methyl-3-pyridinyl)-2-oxo-2-(2-pyridin-4-ylpiperidin-1-yl)acetamide
CID 177382925
2-amino-4-methyl-1-(2-pyridin-4-ylpyrrolidin-1-yl)pentan-1-one
CID 43579561
N-(4-cyanophenyl)-2-oxo-2-[(2R)-2-pyridin-4-ylazepan-1-yl]acetamide
CID 129402957
[(2S)-1,1-dioxothian-2-yl]-[(2R)-2-pyridin-4-ylazepan-1-yl]methanone
CID 97352110
(2S,3S)-2-amino-3-methyl-1-(2-pyridin-4-ylpyrrolidin-1-yl)pentan-1-one
CID 61155959
2-propan-2-yloxy-1-[(2S)-2-pyridin-4-ylazepan-1-yl]ethanone
CID 95234107
cyclobutyl-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 42939217
(2S)-N-[(2S)-2-[cyclopropyl(methyl)amino]propyl]-2-pyridin-4-ylazepane-1-carboxamide
CID 97087324
N-(1-phenyl-2-pyrrolidin-1-ylethyl)-2-pyridin-4-ylazepane-1-carboxamide
CID 78892187
N-[4-(4-hydroxyphenyl)butan-2-yl]-2-pyridin-4-ylazepane-1-carboxamide
CID 87003054
(2S)-N-[(1S)-1-phenylethyl]-2-pyridin-4-ylazepane-1-carbothioamide
CID 97021175
benzyl N-[(2S)-1-oxo-1-(2-pyridin-4-ylpyrrolidin-1-yl)propan-2-yl]carbamate
CID 44756126

Frequently Asked Questions

What is the IUPAC name of N-[1-amino-2-(methylamino)ethyl]-2-oxo-2-(2-pyridin-4-ylpiperidin-1-yl)acetamide?
The IUPAC name of N-[1-amino-2-(methylamino)ethyl]-2-oxo-2-(2-pyridin-4-ylpiperidin-1-yl)acetamide (CID 175636918) is N-[1-amino-2-(methylamino)ethyl]-2-oxo-2-(2-pyridin-4-ylpiperidin-1-yl)acetamide.
What is the SMILES notation for N-[1-amino-2-(methylamino)ethyl]-2-oxo-2-(2-pyridin-4-ylpiperidin-1-yl)acetamide?
The canonical SMILES for N-[1-amino-2-(methylamino)ethyl]-2-oxo-2-(2-pyridin-4-ylpiperidin-1-yl)acetamide is CNCC(N)NC(=O)C(=O)N1CCCCC1c1ccncc1.
What is the InChIKey of N-[1-amino-2-(methylamino)ethyl]-2-oxo-2-(2-pyridin-4-ylpiperidin-1-yl)acetamide?
The InChIKey is OKMDJIOTWMSYLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O2/c1-17-10-13(16)19-14(21)15(22)20-9-3-2-4-12(20)11-5-7-18-8-6-11/h5-8,12-13,17H,2-4,9-10,16H2,1H3,(H,19,21).
What are the key properties of N-[1-amino-2-(methylamino)ethyl]-2-oxo-2-(2-pyridin-4-ylpiperidin-1-yl)acetamide?
N-[1-amino-2-(methylamino)ethyl]-2-oxo-2-(2-pyridin-4-ylpiperidin-1-yl)acetamide has a molecular weight of 305.38 g/mol, XLogP of -0.24, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-amino-2-(methylamino)ethyl]-2-oxo-2-(2-pyridin-4-ylpiperidin-1-yl)acetamide is sourced from PubChem (CID 175636918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).