2-amino-5-chloro-N-[2-(methylamino)-2-oxoethyl]pyridine-4-carboxamide

C9H11ClN4O2 — CID 114922239

IUPAC2-amino-5-chloro-N-[2-(methylamino)-2-oxoethyl]pyridine-4-carboxamide
SMILESCNC(=O)CNC(=O)c1cc(N)ncc1Cl
InChIInChI=1S/C9H11ClN4O2/c1-12-8(15)4-14-9(16)5-2-7(11)13-3-6(5)10/h2-3H,4H2,1H3,(H2,11,13)(H,12,15)(H,14,16)
InChIKeyRHEMZBHLPLXLRI-UHFFFAOYSA-N
MW242.67 g/mol
LogP-0.21
Rot. Bonds3

About 2-amino-5-chloro-N-[2-(methylamino)-2-oxoethyl]pyridine-4-carboxamide

2-amino-5-chloro-N-[2-(methylamino)-2-oxoethyl]pyridine-4-carboxamide (PubChem CID 114922239) has the molecular formula C9H11ClN4O2 and a molecular weight of 242.67 g/mol. Its IUPAC name is 2-amino-5-chloro-N-[2-(methylamino)-2-oxoethyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-amino-5-chloro-N-[2-(methylamino)-2-oxoethyl]pyridine-4-carboxamide
PubChem CID114922239
Molecular FormulaC9H11ClN4O2
Molecular Weight242.67 g/mol
Exact Mass242.06
IUPAC Name2-amino-5-chloro-N-[2-(methylamino)-2-oxoethyl]pyridine-4-carboxamide
SMILESCNC(=O)CNC(=O)c1cc(N)ncc1Cl
InChIInChI=1S/C9H11ClN4O2/c1-12-8(15)4-14-9(16)5-2-7(11)13-3-6(5)10/h2-3H,4H2,1H3,(H2,11,13)(H,12,15)(H,14,16)
InChIKeyRHEMZBHLPLXLRI-UHFFFAOYSA-N
XLogP-0.21
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.67
LogP ≤ 5-0.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[2-(tert-butylamino)-2-oxoethyl]-5-chloropyridine-4-carboxamide
CID 114924235
2-amino-5-chloro-N-methylpyridine-4-carboxamide
CID 114921748
2-amino-5-chloro-N-(2-methylpropyl)pyridine-4-carboxamide
CID 114921737
2-amino-5-chloro-N-octylpyridine-4-carboxamide
CID 114924255
5-amino-2,3-dichloro-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 107183561
2-amino-5-chloro-N-[4-(dimethylamino)butyl]pyridine-4-carboxamide
CID 114922789
2,5-dichloro-N-[2-(ethylamino)-2-oxoethyl]pyridine-4-carboxamide
CID 114917304
2-amino-5-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridine-4-carboxamide
CID 114922785
2-amino-5-chloro-N-[1-(2-methylpropylamino)-1-oxopropan-2-yl]pyridine-4-carboxamide
CID 114924418
2-amino-5-chloro-N-[(6-methyl-3-pyridinyl)methyl]pyridine-4-carboxamide
CID 114923423
2-amino-5-chloro-N-(2-methylbutan-2-yl)pyridine-4-carboxamide
CID 114921690
2-amino-N-butan-2-yl-5-chloropyridine-4-carboxamide
CID 114921730

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-chloro-N-[2-(methylamino)-2-oxoethyl]pyridine-4-carboxamide?
The IUPAC name of 2-amino-5-chloro-N-[2-(methylamino)-2-oxoethyl]pyridine-4-carboxamide (CID 114922239) is 2-amino-5-chloro-N-[2-(methylamino)-2-oxoethyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-amino-5-chloro-N-[2-(methylamino)-2-oxoethyl]pyridine-4-carboxamide?
The canonical SMILES for 2-amino-5-chloro-N-[2-(methylamino)-2-oxoethyl]pyridine-4-carboxamide is CNC(=O)CNC(=O)c1cc(N)ncc1Cl.
What is the InChIKey of 2-amino-5-chloro-N-[2-(methylamino)-2-oxoethyl]pyridine-4-carboxamide?
The InChIKey is RHEMZBHLPLXLRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN4O2/c1-12-8(15)4-14-9(16)5-2-7(11)13-3-6(5)10/h2-3H,4H2,1H3,(H2,11,13)(H,12,15)(H,14,16).
What are the key properties of 2-amino-5-chloro-N-[2-(methylamino)-2-oxoethyl]pyridine-4-carboxamide?
2-amino-5-chloro-N-[2-(methylamino)-2-oxoethyl]pyridine-4-carboxamide has a molecular weight of 242.67 g/mol, XLogP of -0.21, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-chloro-N-[2-(methylamino)-2-oxoethyl]pyridine-4-carboxamide is sourced from PubChem (CID 114922239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).