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

C12H18N4O2 — CID 113293311

IUPAC4-amino-N-[2-(tert-butylamino)-2-oxoethyl]pyridine-2-carboxamide
SMILESCC(C)(C)NC(=O)CNC(=O)c1cc(N)ccn1
InChIInChI=1S/C12H18N4O2/c1-12(2,3)16-10(17)7-15-11(18)9-6-8(13)4-5-14-9/h4-6H,7H2,1-3H3,(H2,13,14)(H,15,18)(H,16,17)
InChIKeyHNSPKFRBTVWREH-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.31
Rot. Bonds3

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

4-amino-N-[2-(tert-butylamino)-2-oxoethyl]pyridine-2-carboxamide (PubChem CID 113293311) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 4-amino-N-[2-(tert-butylamino)-2-oxoethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-[2-(tert-butylamino)-2-oxoethyl]pyridine-2-carboxamide
PubChem CID113293311
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name4-amino-N-[2-(tert-butylamino)-2-oxoethyl]pyridine-2-carboxamide
SMILESCC(C)(C)NC(=O)CNC(=O)c1cc(N)ccn1
InChIInChI=1S/C12H18N4O2/c1-12(2,3)16-10(17)7-15-11(18)9-6-8(13)4-5-14-9/h4-6H,7H2,1-3H3,(H2,13,14)(H,15,18)(H,16,17)
InChIKeyHNSPKFRBTVWREH-UHFFFAOYSA-N
XLogP0.31
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-(2-amino-2-oxoethyl)pyridine-2-carboxamide
CID 62156231
4-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)pyridine-2-carboxamide
CID 62187177
2-bromo-N-[2-(tert-butylamino)-2-oxoethyl]pyridine-4-carboxamide
CID 103752009
4-amino-N-[2-(tert-butylamino)-2-oxoethyl]benzamide
CID 24710255
2-amino-N-[2-(tert-butylamino)-2-oxoethyl]-3-fluoropyridine-4-carboxamide
CID 105387071
4-amino-N-methoxypyridine-2-carboxamide
CID 170972703
2-(3-aminophenyl)-N-[2-(tert-butylamino)-2-oxoethyl]acetamide
CID 65349911
4-amino-N-(2-methylsulfanylethyl)pyridine-2-carboxamide
CID 63962299
4-amino-N-[2-(dimethylamino)ethyl]pyridine-2-carboxamide
CID 62154340
5-(aminomethyl)-N-[2-(tert-butylamino)-2-oxoethyl]pyridine-2-carboxamide
CID 115355859
4-amino-N-[2-(tert-butylamino)-2-oxoethyl]-2-methoxybenzamide
CID 115355845
5-amino-N-[2-(tert-butylamino)-2-oxoethyl]-2-(dimethylamino)benzamide
CID 115355819

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(tert-butylamino)-2-oxoethyl]pyridine-2-carboxamide?
The IUPAC name of 4-amino-N-[2-(tert-butylamino)-2-oxoethyl]pyridine-2-carboxamide (CID 113293311) is 4-amino-N-[2-(tert-butylamino)-2-oxoethyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-amino-N-[2-(tert-butylamino)-2-oxoethyl]pyridine-2-carboxamide?
The canonical SMILES for 4-amino-N-[2-(tert-butylamino)-2-oxoethyl]pyridine-2-carboxamide is CC(C)(C)NC(=O)CNC(=O)c1cc(N)ccn1.
What is the InChIKey of 4-amino-N-[2-(tert-butylamino)-2-oxoethyl]pyridine-2-carboxamide?
The InChIKey is HNSPKFRBTVWREH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-12(2,3)16-10(17)7-15-11(18)9-6-8(13)4-5-14-9/h4-6H,7H2,1-3H3,(H2,13,14)(H,15,18)(H,16,17).
What are the key properties of 4-amino-N-[2-(tert-butylamino)-2-oxoethyl]pyridine-2-carboxamide?
4-amino-N-[2-(tert-butylamino)-2-oxoethyl]pyridine-2-carboxamide has a molecular weight of 250.30 g/mol, XLogP of 0.31, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(tert-butylamino)-2-oxoethyl]pyridine-2-carboxamide is sourced from PubChem (CID 113293311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).