N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2,6-dichloropyridine-3-carboxamide

C13H16Cl2N4O2 — CID 106993304

IUPACN-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2,6-dichloropyridine-3-carboxamide
SMILESNC(=O)CN1CCC(NC(=O)c2ccc(Cl)nc2Cl)CC1
InChIInChI=1S/C13H16Cl2N4O2/c14-10-2-1-9(12(15)18-10)13(21)17-8-3-5-19(6-4-8)7-11(16)20/h1-2,8H,3-7H2,(H2,16,20)(H,17,21)
InChIKeyCGFNFQDRZQWOSX-UHFFFAOYSA-N
MW331.20 g/mol
LogP1.07
Rot. Bonds4

About N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2,6-dichloropyridine-3-carboxamide

N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2,6-dichloropyridine-3-carboxamide (PubChem CID 106993304) has the molecular formula C13H16Cl2N4O2 and a molecular weight of 331.20 g/mol. Its IUPAC name is N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2,6-dichloropyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2,6-dichloropyridine-3-carboxamide
PubChem CID106993304
Molecular FormulaC13H16Cl2N4O2
Molecular Weight331.20 g/mol
Exact Mass330.07
IUPAC NameN-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2,6-dichloropyridine-3-carboxamide
SMILESNC(=O)CN1CCC(NC(=O)c2ccc(Cl)nc2Cl)CC1
InChIInChI=1S/C13H16Cl2N4O2/c14-10-2-1-9(12(15)18-10)13(21)17-8-3-5-19(6-4-8)7-11(16)20/h1-2,8H,3-7H2,(H2,16,20)(H,17,21)
InChIKeyCGFNFQDRZQWOSX-UHFFFAOYSA-N
XLogP1.07
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.20
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-4-chlorobenzamide
CID 18133860
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-5-chloro-2-hydroxybenzamide
CID 134047749
2-amino-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-5-chlorobenzamide
CID 61140773
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-4-chloropyridine-2-carboxamide
CID 60707818
N-(1-acetylpiperidin-4-yl)-2-chloro-6-fluoropyridine-3-carboxamide
CID 87887068
3,6-dichloro-N-(1-ethylpiperidin-4-yl)pyridazine-4-carboxamide
CID 114038451
2-[4-[(6-chloro-3-nitro-2-pyridinyl)amino]piperidin-1-yl]acetamide
CID 106193246
2-[4-[(2-chloroacetyl)amino]piperidin-1-yl]acetamide
CID 43425925
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-5-methyl-1H-pyrazole-4-carboxamide
CID 63999078
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-fluoro-3-methylbenzamide
CID 80710716
2,6-dichloro-N-[3-(hydroxymethyl)cyclohexyl]pyridine-3-carboxamide
CID 112752696
3-amino-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-methylbenzamide
CID 61140963

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2,6-dichloropyridine-3-carboxamide?
The IUPAC name of N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2,6-dichloropyridine-3-carboxamide (CID 106993304) is N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2,6-dichloropyridine-3-carboxamide.
What is the SMILES notation for N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2,6-dichloropyridine-3-carboxamide?
The canonical SMILES for N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2,6-dichloropyridine-3-carboxamide is NC(=O)CN1CCC(NC(=O)c2ccc(Cl)nc2Cl)CC1.
What is the InChIKey of N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2,6-dichloropyridine-3-carboxamide?
The InChIKey is CGFNFQDRZQWOSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N4O2/c14-10-2-1-9(12(15)18-10)13(21)17-8-3-5-19(6-4-8)7-11(16)20/h1-2,8H,3-7H2,(H2,16,20)(H,17,21).
What are the key properties of N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2,6-dichloropyridine-3-carboxamide?
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2,6-dichloropyridine-3-carboxamide has a molecular weight of 331.20 g/mol, XLogP of 1.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2,6-dichloropyridine-3-carboxamide is sourced from PubChem (CID 106993304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).