N,N-bis(2-amino-2-oxoethyl)-6-chloropyridine-3-carboxamide

C10H11ClN4O3 — CID 62923762

IUPACN,N-bis(2-amino-2-oxoethyl)-6-chloropyridine-3-carboxamide
SMILESNC(=O)CN(CC(N)=O)C(=O)c1ccc(Cl)nc1
InChIInChI=1S/C10H11ClN4O3/c11-7-2-1-6(3-14-7)10(18)15(4-8(12)16)5-9(13)17/h1-3H,4-5H2,(H2,12,16)(H2,13,17)
InChIKeyCNWNVGUOIWHFNO-UHFFFAOYSA-N
MW270.68 g/mol
LogP-0.85
Rot. Bonds5

About N,N-bis(2-amino-2-oxoethyl)-6-chloropyridine-3-carboxamide

N,N-bis(2-amino-2-oxoethyl)-6-chloropyridine-3-carboxamide (PubChem CID 62923762) has the molecular formula C10H11ClN4O3 and a molecular weight of 270.68 g/mol. Its IUPAC name is N,N-bis(2-amino-2-oxoethyl)-6-chloropyridine-3-carboxamide.

Molecular Properties

Compound NameN,N-bis(2-amino-2-oxoethyl)-6-chloropyridine-3-carboxamide
PubChem CID62923762
Molecular FormulaC10H11ClN4O3
Molecular Weight270.68 g/mol
Exact Mass270.05
IUPAC NameN,N-bis(2-amino-2-oxoethyl)-6-chloropyridine-3-carboxamide
SMILESNC(=O)CN(CC(N)=O)C(=O)c1ccc(Cl)nc1
InChIInChI=1S/C10H11ClN4O3/c11-7-2-1-6(3-14-7)10(18)15(4-8(12)16)5-9(13)17/h1-3H,4-5H2,(H2,12,16)(H2,13,17)
InChIKeyCNWNVGUOIWHFNO-UHFFFAOYSA-N
XLogP-0.85
TPSA119.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.68
LogP ≤ 5-0.85
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

6-chloro-N-ethyl-N-[2-(methylamino)-2-oxoethyl]pyridine-3-carboxamide
CID 61042399
2-[(6-chloropyridine-3-carbonyl)-(2-methylpropyl)amino]acetic acid
CID 62032806
2-[(6-chloropyridine-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258051
6-chloropyridine-3-carboxamide;dihydrochloride
CID 87764201
6-chloro-N-ethyl-N-(2-methylpropyl)pyridine-3-carboxamide
CID 43243478
6-chloro-N,N-bis(2-ethoxyethyl)pyridine-3-carboxamide
CID 82966067
chloromethyl 6-chloropyridine-3-carboxylate
CID 22459863
6-chloro-N,N-dimethylpyridine-3-carboxamide;6-chloropyridine-3-carbonyl chloride
CID 159595421
6-chloro-N-methyl-N-propylpyridine-3-carboxamide
CID 43271303
2-amino-1-(6-chloro-3-pyridinyl)ethanone;hydrochloride
CID 88879940
2-[(6-chloropyridine-3-carbonyl)-methylamino]-2-methylpropanoic acid
CID 62818473
methyl 3-[(6-chloropyridine-3-carbonyl)-methylamino]propanoate
CID 55031186

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-amino-2-oxoethyl)-6-chloropyridine-3-carboxamide?
The IUPAC name of N,N-bis(2-amino-2-oxoethyl)-6-chloropyridine-3-carboxamide (CID 62923762) is N,N-bis(2-amino-2-oxoethyl)-6-chloropyridine-3-carboxamide.
What is the SMILES notation for N,N-bis(2-amino-2-oxoethyl)-6-chloropyridine-3-carboxamide?
The canonical SMILES for N,N-bis(2-amino-2-oxoethyl)-6-chloropyridine-3-carboxamide is NC(=O)CN(CC(N)=O)C(=O)c1ccc(Cl)nc1.
What is the InChIKey of N,N-bis(2-amino-2-oxoethyl)-6-chloropyridine-3-carboxamide?
The InChIKey is CNWNVGUOIWHFNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4O3/c11-7-2-1-6(3-14-7)10(18)15(4-8(12)16)5-9(13)17/h1-3H,4-5H2,(H2,12,16)(H2,13,17).
What are the key properties of N,N-bis(2-amino-2-oxoethyl)-6-chloropyridine-3-carboxamide?
N,N-bis(2-amino-2-oxoethyl)-6-chloropyridine-3-carboxamide has a molecular weight of 270.68 g/mol, XLogP of -0.85, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-amino-2-oxoethyl)-6-chloropyridine-3-carboxamide is sourced from PubChem (CID 62923762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).