2-chloro-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-6-hydrazinylpyridine-4-carboxamide

C12H18ClN5O2 — CID 114167737

IUPAC2-chloro-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-6-hydrazinylpyridine-4-carboxamide
SMILESCNC(=O)C(C)(C)CNC(=O)c1cc(Cl)nc(NN)c1
InChIInChI=1S/C12H18ClN5O2/c1-12(2,11(20)15-3)6-16-10(19)7-4-8(13)17-9(5-7)18-14/h4-5H,6,14H2,1-3H3,(H,15,20)(H,16,19)(H,17,18)
InChIKeyIKUSGNKAEIDOKC-UHFFFAOYSA-N
MW299.76 g/mol
LogP0.52
Rot. Bonds5

About 2-chloro-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-6-hydrazinylpyridine-4-carboxamide

2-chloro-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-6-hydrazinylpyridine-4-carboxamide (PubChem CID 114167737) has the molecular formula C12H18ClN5O2 and a molecular weight of 299.76 g/mol. Its IUPAC name is 2-chloro-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-6-hydrazinylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-6-hydrazinylpyridine-4-carboxamide
PubChem CID114167737
Molecular FormulaC12H18ClN5O2
Molecular Weight299.76 g/mol
Exact Mass299.11
IUPAC Name2-chloro-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-6-hydrazinylpyridine-4-carboxamide
SMILESCNC(=O)C(C)(C)CNC(=O)c1cc(Cl)nc(NN)c1
InChIInChI=1S/C12H18ClN5O2/c1-12(2,11(20)15-3)6-16-10(19)7-4-8(13)17-9(5-7)18-14/h4-5H,6,14H2,1-3H3,(H,15,20)(H,16,19)(H,17,18)
InChIKeyIKUSGNKAEIDOKC-UHFFFAOYSA-N
XLogP0.52
TPSA109.14 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 50.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-6-hydrazinyl-N-[2-(methylamino)-2-oxoethyl]pyridine-4-carboxamide
CID 62241576
N-(2-acetamidoethyl)-2-chloro-6-hydrazinylpyridine-4-carboxamide
CID 62241958
N-(2-amino-2-oxoethyl)-2-chloro-6-hydrazinylpyridine-4-carboxamide
CID 62248286
N-(4-amino-4-oxobutyl)-2-chloro-6-hydrazinylpyridine-4-carboxamide
CID 62237080
2-chloro-6-hydrazinyl-N-[2-(2-methoxyethoxy)ethyl]pyridine-4-carboxamide
CID 62236854
2-chloro-6-hydrazinyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-4-carboxamide
CID 55052122
2-chloro-6-hydrazinyl-N-(2-methylbutyl)pyridine-4-carboxamide
CID 62692731
N-(5-amino-5-oxopentyl)-2-chloro-6-hydrazinylpyridine-4-carboxamide
CID 114162817
2-chloro-N-(2-ethoxyethyl)-6-hydrazinylpyridine-4-carboxamide
CID 62234303
N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-5-hydrazinylpyrazine-2-carboxamide
CID 106280282
2-chloro-6-hydrazinyl-N-[3-oxo-3-(propylamino)propyl]pyridine-4-carboxamide
CID 62242208
N-(3-amino-2,2-dimethyl-3-oxopropyl)-2-hydrazinyl-6-propan-2-ylpyridine-4-carboxamide
CID 106280242

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-6-hydrazinylpyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-6-hydrazinylpyridine-4-carboxamide (CID 114167737) is 2-chloro-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-6-hydrazinylpyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-6-hydrazinylpyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-6-hydrazinylpyridine-4-carboxamide is CNC(=O)C(C)(C)CNC(=O)c1cc(Cl)nc(NN)c1.
What is the InChIKey of 2-chloro-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-6-hydrazinylpyridine-4-carboxamide?
The InChIKey is IKUSGNKAEIDOKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN5O2/c1-12(2,11(20)15-3)6-16-10(19)7-4-8(13)17-9(5-7)18-14/h4-5H,6,14H2,1-3H3,(H,15,20)(H,16,19)(H,17,18).
What are the key properties of 2-chloro-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-6-hydrazinylpyridine-4-carboxamide?
2-chloro-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-6-hydrazinylpyridine-4-carboxamide has a molecular weight of 299.76 g/mol, XLogP of 0.52, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-6-hydrazinylpyridine-4-carboxamide is sourced from PubChem (CID 114167737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).