2-amino-N-[2-(tert-butylamino)-2-oxoethyl]-5-chloropyridine-4-carboxamide

C12H17ClN4O2 — CID 114924235

IUPAC2-amino-N-[2-(tert-butylamino)-2-oxoethyl]-5-chloropyridine-4-carboxamide
SMILESCC(C)(C)NC(=O)CNC(=O)c1cc(N)ncc1Cl
InChIInChI=1S/C12H17ClN4O2/c1-12(2,3)17-10(18)6-16-11(19)7-4-9(14)15-5-8(7)13/h4-5H,6H2,1-3H3,(H2,14,15)(H,16,19)(H,17,18)
InChIKeySEIHGAOMZAHGLE-UHFFFAOYSA-N
MW284.75 g/mol
LogP0.96
Rot. Bonds3

About 2-amino-N-[2-(tert-butylamino)-2-oxoethyl]-5-chloropyridine-4-carboxamide

2-amino-N-[2-(tert-butylamino)-2-oxoethyl]-5-chloropyridine-4-carboxamide (PubChem CID 114924235) has the molecular formula C12H17ClN4O2 and a molecular weight of 284.75 g/mol. Its IUPAC name is 2-amino-N-[2-(tert-butylamino)-2-oxoethyl]-5-chloropyridine-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-[2-(tert-butylamino)-2-oxoethyl]-5-chloropyridine-4-carboxamide
PubChem CID114924235
Molecular FormulaC12H17ClN4O2
Molecular Weight284.75 g/mol
Exact Mass284.10
IUPAC Name2-amino-N-[2-(tert-butylamino)-2-oxoethyl]-5-chloropyridine-4-carboxamide
SMILESCC(C)(C)NC(=O)CNC(=O)c1cc(N)ncc1Cl
InChIInChI=1S/C12H17ClN4O2/c1-12(2,3)17-10(18)6-16-11(19)7-4-9(14)15-5-8(7)13/h4-5H,6H2,1-3H3,(H2,14,15)(H,16,19)(H,17,18)
InChIKeySEIHGAOMZAHGLE-UHFFFAOYSA-N
XLogP0.96
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.75
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-5-chloro-N-[2-(methylamino)-2-oxoethyl]pyridine-4-carboxamide
CID 114922239
2-amino-5-chloro-N-(2-methylbutan-2-yl)pyridine-4-carboxamide
CID 114921690
5-amino-N-[2-(tert-butylamino)-2-oxoethyl]-2,3-dichlorobenzamide
CID 107185636
N-[2-(tert-butylamino)-2-oxoethyl]-3-chloropyridine-4-carboxamide
CID 79079783
2-amino-5-chloro-N-(2-methylpropyl)pyridine-4-carboxamide
CID 114921737
2-amino-5-bromo-N-[2-(tert-butylamino)-2-oxoethyl]pyridine-3-carboxamide
CID 115357192
2-amino-5-chloro-N-methylpyridine-4-carboxamide
CID 114921748
2-amino-5-[[2-(tert-butylamino)-2-oxoethyl]amino]pyridine-4-carboxamide
CID 114195291
2-amino-5-chloro-N-octylpyridine-4-carboxamide
CID 114924255
N-[3-(tert-butylamino)-3-oxopropyl]-5-chloro-2-(methylamino)pyridine-4-carboxamide
CID 114924429
N-[2-(tert-butylamino)-2-oxoethyl]-2-chloropyridine-3-carboxamide
CID 26456826
2-amino-5-chloro-N-[4-(dimethylamino)butyl]pyridine-4-carboxamide
CID 114922789

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(tert-butylamino)-2-oxoethyl]-5-chloropyridine-4-carboxamide?
The IUPAC name of 2-amino-N-[2-(tert-butylamino)-2-oxoethyl]-5-chloropyridine-4-carboxamide (CID 114924235) is 2-amino-N-[2-(tert-butylamino)-2-oxoethyl]-5-chloropyridine-4-carboxamide.
What is the SMILES notation for 2-amino-N-[2-(tert-butylamino)-2-oxoethyl]-5-chloropyridine-4-carboxamide?
The canonical SMILES for 2-amino-N-[2-(tert-butylamino)-2-oxoethyl]-5-chloropyridine-4-carboxamide is CC(C)(C)NC(=O)CNC(=O)c1cc(N)ncc1Cl.
What is the InChIKey of 2-amino-N-[2-(tert-butylamino)-2-oxoethyl]-5-chloropyridine-4-carboxamide?
The InChIKey is SEIHGAOMZAHGLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN4O2/c1-12(2,3)17-10(18)6-16-11(19)7-4-9(14)15-5-8(7)13/h4-5H,6H2,1-3H3,(H2,14,15)(H,16,19)(H,17,18).
What are the key properties of 2-amino-N-[2-(tert-butylamino)-2-oxoethyl]-5-chloropyridine-4-carboxamide?
2-amino-N-[2-(tert-butylamino)-2-oxoethyl]-5-chloropyridine-4-carboxamide has a molecular weight of 284.75 g/mol, XLogP of 0.96, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(tert-butylamino)-2-oxoethyl]-5-chloropyridine-4-carboxamide is sourced from PubChem (CID 114924235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).