6-amino-3-chloro-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]pyridine-2-carboxamide

C12H17ClN4O2 — CID 106280199

IUPAC6-amino-3-chloro-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]pyridine-2-carboxamide
SMILESCNC(=O)C(C)(C)CNC(=O)c1nc(N)ccc1Cl
InChIInChI=1S/C12H17ClN4O2/c1-12(2,11(19)15-3)6-16-10(18)9-7(13)4-5-8(14)17-9/h4-5H,6H2,1-3H3,(H2,14,17)(H,15,19)(H,16,18)
InChIKeyZXPULMXFVBEJGU-UHFFFAOYSA-N
MW284.75 g/mol
LogP0.82
Rot. Bonds4

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

6-amino-3-chloro-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]pyridine-2-carboxamide (PubChem CID 106280199) has the molecular formula C12H17ClN4O2 and a molecular weight of 284.75 g/mol. Its IUPAC name is 6-amino-3-chloro-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-amino-3-chloro-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]pyridine-2-carboxamide
PubChem CID106280199
Molecular FormulaC12H17ClN4O2
Molecular Weight284.75 g/mol
Exact Mass284.10
IUPAC Name6-amino-3-chloro-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]pyridine-2-carboxamide
SMILESCNC(=O)C(C)(C)CNC(=O)c1nc(N)ccc1Cl
InChIInChI=1S/C12H17ClN4O2/c1-12(2,11(19)15-3)6-16-10(18)9-7(13)4-5-8(14)17-9/h4-5H,6H2,1-3H3,(H2,14,17)(H,15,19)(H,16,18)
InChIKeyZXPULMXFVBEJGU-UHFFFAOYSA-N
XLogP0.82
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.75
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

6-amino-3-chloro-N-(2,2-dimethylpropyl)pyridine-2-carboxamide
CID 62159814
6-amino-3-chloro-N-methylpyridine-2-carboxamide
CID 62156050
6-amino-3-chloro-N-ethylpyridine-2-carboxamide
CID 62154853
5-chloro-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-2-propan-2-ylpyrimidine-4-carboxamide
CID 103824573
6-amino-3-chloro-N-(2-methylpropyl)pyridine-2-carboxamide
CID 62156560
6-amino-N-(4-amino-4-oxobutyl)-3-chloropyridine-2-carboxamide
CID 55041650
6-amino-3-chloro-N-[(2-ethylphenyl)methyl]pyridine-2-carboxamide
CID 64694581
3,6-dichloro-N-(2-hydroxy-2-methylbutyl)pyridine-2-carboxamide
CID 65107168
2-chloro-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-6-hydrazinylpyridine-4-carboxamide
CID 114167737
6-amino-3-chloro-N-[(3-ethyl-2-pyridinyl)methyl]pyridine-2-carboxamide
CID 82744378
6-amino-N-[(4-bromophenyl)methyl]-3-chloropyridine-2-carboxamide
CID 62156376
6-amino-3-chloro-N-[(5-methylpyrazin-2-yl)methyl]pyridine-2-carboxamide
CID 62841226

Frequently Asked Questions

What is the IUPAC name of 6-amino-3-chloro-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]pyridine-2-carboxamide?
The IUPAC name of 6-amino-3-chloro-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]pyridine-2-carboxamide (CID 106280199) is 6-amino-3-chloro-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-amino-3-chloro-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]pyridine-2-carboxamide?
The canonical SMILES for 6-amino-3-chloro-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]pyridine-2-carboxamide is CNC(=O)C(C)(C)CNC(=O)c1nc(N)ccc1Cl.
What is the InChIKey of 6-amino-3-chloro-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]pyridine-2-carboxamide?
The InChIKey is ZXPULMXFVBEJGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN4O2/c1-12(2,11(19)15-3)6-16-10(18)9-7(13)4-5-8(14)17-9/h4-5H,6H2,1-3H3,(H2,14,17)(H,15,19)(H,16,18).
What are the key properties of 6-amino-3-chloro-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]pyridine-2-carboxamide?
6-amino-3-chloro-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]pyridine-2-carboxamide has a molecular weight of 284.75 g/mol, XLogP of 0.82, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-chloro-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]pyridine-2-carboxamide is sourced from PubChem (CID 106280199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).