N-(4-amino-2-methyl-4-oxobutan-2-yl)-4-(methylamino)pyridine-3-carboxamide

C12H18N4O2 — CID 114143178

IUPACN-(4-amino-2-methyl-4-oxobutan-2-yl)-4-(methylamino)pyridine-3-carboxamide
SMILESCNc1ccncc1C(=O)NC(C)(C)CC(N)=O
InChIInChI=1S/C12H18N4O2/c1-12(2,6-10(13)17)16-11(18)8-7-15-5-4-9(8)14-3/h4-5,7H,6H2,1-3H3,(H2,13,17)(H,14,15)(H,16,18)
InChIKeyMORKMERABWXUAH-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.51
Rot. Bonds5

About N-(4-amino-2-methyl-4-oxobutan-2-yl)-4-(methylamino)pyridine-3-carboxamide

N-(4-amino-2-methyl-4-oxobutan-2-yl)-4-(methylamino)pyridine-3-carboxamide (PubChem CID 114143178) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is N-(4-amino-2-methyl-4-oxobutan-2-yl)-4-(methylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-amino-2-methyl-4-oxobutan-2-yl)-4-(methylamino)pyridine-3-carboxamide
PubChem CID114143178
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC NameN-(4-amino-2-methyl-4-oxobutan-2-yl)-4-(methylamino)pyridine-3-carboxamide
SMILESCNc1ccncc1C(=O)NC(C)(C)CC(N)=O
InChIInChI=1S/C12H18N4O2/c1-12(2,6-10(13)17)16-11(18)8-7-15-5-4-9(8)14-3/h4-5,7H,6H2,1-3H3,(H2,13,17)(H,14,15)(H,16,18)
InChIKeyMORKMERABWXUAH-UHFFFAOYSA-N
XLogP0.51
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-amino-2-methyl-4-oxobutan-2-yl)-4-hydrazinylpyridine-3-carboxamide
CID 106098486
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4-(methylamino)-N-(2,4,4-trimethylpentan-2-yl)pyridine-3-carboxamide
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N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-4-(methylamino)pyridine-3-carboxamide
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N-[2-(methanesulfonamido)-2-methylpropyl]-4-(methylamino)pyridine-3-carboxamide
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N-(4-amino-2-methyl-4-oxobutan-2-yl)-2-(ethylamino)benzamide
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CID 104580210
4-(methylamino)-N-(pyridazin-3-ylmethyl)pyridine-3-carboxamide
CID 106897669
1-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)isoquinoline-4-carboxamide
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N-(1-chloro-2-methylpropan-2-yl)-4-methylpyridine-3-carboxamide
CID 164655174
5-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)-2-methylpyridine-3-carboxamide
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N-(3-fluoro-4-pyridinyl)-4-(methylamino)pyridine-3-carboxamide
CID 107595502

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-methyl-4-oxobutan-2-yl)-4-(methylamino)pyridine-3-carboxamide?
The IUPAC name of N-(4-amino-2-methyl-4-oxobutan-2-yl)-4-(methylamino)pyridine-3-carboxamide (CID 114143178) is N-(4-amino-2-methyl-4-oxobutan-2-yl)-4-(methylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(4-amino-2-methyl-4-oxobutan-2-yl)-4-(methylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(4-amino-2-methyl-4-oxobutan-2-yl)-4-(methylamino)pyridine-3-carboxamide is CNc1ccncc1C(=O)NC(C)(C)CC(N)=O.
What is the InChIKey of N-(4-amino-2-methyl-4-oxobutan-2-yl)-4-(methylamino)pyridine-3-carboxamide?
The InChIKey is MORKMERABWXUAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-12(2,6-10(13)17)16-11(18)8-7-15-5-4-9(8)14-3/h4-5,7H,6H2,1-3H3,(H2,13,17)(H,14,15)(H,16,18).
What are the key properties of N-(4-amino-2-methyl-4-oxobutan-2-yl)-4-(methylamino)pyridine-3-carboxamide?
N-(4-amino-2-methyl-4-oxobutan-2-yl)-4-(methylamino)pyridine-3-carboxamide has a molecular weight of 250.30 g/mol, XLogP of 0.51, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-methyl-4-oxobutan-2-yl)-4-(methylamino)pyridine-3-carboxamide is sourced from PubChem (CID 114143178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).