5-chloro-2-(methylamino)-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-4-carboxamide

C12H17ClN4O2 — CID 114922352

IUPAC5-chloro-2-(methylamino)-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-4-carboxamide
SMILESCNc1cc(C(=O)NCC(=O)NC(C)C)c(Cl)cn1
InChIInChI=1S/C12H17ClN4O2/c1-7(2)17-11(18)6-16-12(19)8-4-10(14-3)15-5-9(8)13/h4-5,7H,6H2,1-3H3,(H,14,15)(H,16,19)(H,17,18)
InChIKeyTVCKLNWPYDBGBA-UHFFFAOYSA-N
MW284.75 g/mol
LogP1.03
Rot. Bonds5

About 5-chloro-2-(methylamino)-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-4-carboxamide

5-chloro-2-(methylamino)-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-4-carboxamide (PubChem CID 114922352) has the molecular formula C12H17ClN4O2 and a molecular weight of 284.75 g/mol. Its IUPAC name is 5-chloro-2-(methylamino)-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name5-chloro-2-(methylamino)-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-4-carboxamide
PubChem CID114922352
Molecular FormulaC12H17ClN4O2
Molecular Weight284.75 g/mol
Exact Mass284.10
IUPAC Name5-chloro-2-(methylamino)-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-4-carboxamide
SMILESCNc1cc(C(=O)NCC(=O)NC(C)C)c(Cl)cn1
InChIInChI=1S/C12H17ClN4O2/c1-7(2)17-11(18)6-16-12(19)8-4-10(14-3)15-5-9(8)13/h4-5,7H,6H2,1-3H3,(H,14,15)(H,16,19)(H,17,18)
InChIKeyTVCKLNWPYDBGBA-UHFFFAOYSA-N
XLogP1.03
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.75
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-[2-(2-methoxyethylamino)-2-oxoethyl]-2-(methylamino)pyridine-4-carboxamide
CID 114924409
5-chloro-N-(2,2-difluoroethyl)-2-(methylamino)pyridine-4-carboxamide
CID 114924242
N-(2-acetamidoethyl)-5-chloro-2-(methylamino)pyridine-4-carboxamide
CID 114922273
5-chloro-2-(methylamino)-N-[1-oxo-1-(propylamino)propan-2-yl]pyridine-4-carboxamide
CID 114923191
5-chloro-N-(2-ethoxypropyl)-2-(methylamino)pyridine-4-carboxamide
CID 114924522
5-chloro-N-(2-cyclopropylpropyl)-2-(methylamino)pyridine-4-carboxamide
CID 114924516
5-chloro-2-(methylamino)-N-(1-methylsulfonylpropan-2-yl)pyridine-4-carboxamide
CID 114923823
5-chloro-N-[2-(dimethylcarbamoylamino)ethyl]-2-(methylamino)pyridine-4-carboxamide
CID 114924347
5-chloro-N-(1-methoxy-3-methylbutan-2-yl)-2-(methylamino)pyridine-4-carboxamide
CID 114923860
5-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]-2-(methylamino)pyridine-4-carboxamide
CID 114924344
5-chloro-2-(methylamino)-N-(1H-pyrazol-4-ylmethyl)pyridine-4-carboxamide
CID 114923162
5-chloro-N-(2-cyclobutylethyl)-2-(methylamino)pyridine-4-carboxamide
CID 114924528

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(methylamino)-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-4-carboxamide?
The IUPAC name of 5-chloro-2-(methylamino)-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-4-carboxamide (CID 114922352) is 5-chloro-2-(methylamino)-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-4-carboxamide.
What is the SMILES notation for 5-chloro-2-(methylamino)-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-4-carboxamide?
The canonical SMILES for 5-chloro-2-(methylamino)-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-4-carboxamide is CNc1cc(C(=O)NCC(=O)NC(C)C)c(Cl)cn1.
What is the InChIKey of 5-chloro-2-(methylamino)-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-4-carboxamide?
The InChIKey is TVCKLNWPYDBGBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN4O2/c1-7(2)17-11(18)6-16-12(19)8-4-10(14-3)15-5-9(8)13/h4-5,7H,6H2,1-3H3,(H,14,15)(H,16,19)(H,17,18).
What are the key properties of 5-chloro-2-(methylamino)-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-4-carboxamide?
5-chloro-2-(methylamino)-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-4-carboxamide has a molecular weight of 284.75 g/mol, XLogP of 1.03, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(methylamino)-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 114922352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).