N-(1-amino-3-methyl-1-oxobutan-2-yl)-3-(ethylamino)pyridine-4-carboxamide

C13H20N4O2 — CID 106347123

IUPACN-(1-amino-3-methyl-1-oxobutan-2-yl)-3-(ethylamino)pyridine-4-carboxamide
SMILESCCNc1cnccc1C(=O)NC(C(N)=O)C(C)C
InChIInChI=1S/C13H20N4O2/c1-4-16-10-7-15-6-5-9(10)13(19)17-11(8(2)3)12(14)18/h5-8,11,16H,4H2,1-3H3,(H2,14,18)(H,17,19)
InChIKeyRXODCSRJTLNEBE-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.75
Rot. Bonds6

About N-(1-amino-3-methyl-1-oxobutan-2-yl)-3-(ethylamino)pyridine-4-carboxamide

N-(1-amino-3-methyl-1-oxobutan-2-yl)-3-(ethylamino)pyridine-4-carboxamide (PubChem CID 106347123) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is N-(1-amino-3-methyl-1-oxobutan-2-yl)-3-(ethylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(1-amino-3-methyl-1-oxobutan-2-yl)-3-(ethylamino)pyridine-4-carboxamide
PubChem CID106347123
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC NameN-(1-amino-3-methyl-1-oxobutan-2-yl)-3-(ethylamino)pyridine-4-carboxamide
SMILESCCNc1cnccc1C(=O)NC(C(N)=O)C(C)C
InChIInChI=1S/C13H20N4O2/c1-4-16-10-7-15-6-5-9(10)13(19)17-11(8(2)3)12(14)18/h5-8,11,16H,4H2,1-3H3,(H2,14,18)(H,17,19)
InChIKeyRXODCSRJTLNEBE-UHFFFAOYSA-N
XLogP0.75
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(ethylamino)-N-(5-methylhexan-2-yl)pyridine-4-carboxamide
CID 105070222
3-(ethylamino)-N-(1-methylsulfanylbutan-2-yl)pyridine-4-carboxamide
CID 105071292
4-(ethylamino)-N-(2-methylpentan-3-yl)pyridine-3-carboxamide
CID 81242327
N-(2-methylpentan-3-yl)-3-(propylamino)pyridine-4-carboxamide
CID 105069100
N-(1-amino-3-methyl-1-oxobutan-2-yl)-3-(3-aminoprop-1-ynyl)pyridine-4-carboxamide
CID 106346966
N-[3-(butan-2-ylamino)-3-oxopropyl]-3-(ethylamino)pyridine-4-carboxamide
CID 105069549
4-(ethylamino)-N-(3-methylbutan-2-yl)pyridine-3-carboxamide
CID 81236752
4-(ethylamino)-N-propan-2-ylpyridine-3-carboxamide
CID 81236067
2-[[3-(ethylamino)pyridine-4-carbonyl]amino]ethyl carbamate
CID 105071026
N-(1-amino-3-methyl-1-oxobutan-2-yl)pyridine-4-carboxamide
CID 77389901
3-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]pyridine-4-carboxylic acid
CID 106345806
N-(4-methylhexan-2-yl)-3-(propylamino)pyridine-4-carboxamide
CID 105070483

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-3-methyl-1-oxobutan-2-yl)-3-(ethylamino)pyridine-4-carboxamide?
The IUPAC name of N-(1-amino-3-methyl-1-oxobutan-2-yl)-3-(ethylamino)pyridine-4-carboxamide (CID 106347123) is N-(1-amino-3-methyl-1-oxobutan-2-yl)-3-(ethylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-(1-amino-3-methyl-1-oxobutan-2-yl)-3-(ethylamino)pyridine-4-carboxamide?
The canonical SMILES for N-(1-amino-3-methyl-1-oxobutan-2-yl)-3-(ethylamino)pyridine-4-carboxamide is CCNc1cnccc1C(=O)NC(C(N)=O)C(C)C.
What is the InChIKey of N-(1-amino-3-methyl-1-oxobutan-2-yl)-3-(ethylamino)pyridine-4-carboxamide?
The InChIKey is RXODCSRJTLNEBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-4-16-10-7-15-6-5-9(10)13(19)17-11(8(2)3)12(14)18/h5-8,11,16H,4H2,1-3H3,(H2,14,18)(H,17,19).
What are the key properties of N-(1-amino-3-methyl-1-oxobutan-2-yl)-3-(ethylamino)pyridine-4-carboxamide?
N-(1-amino-3-methyl-1-oxobutan-2-yl)-3-(ethylamino)pyridine-4-carboxamide has a molecular weight of 264.33 g/mol, XLogP of 0.75, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-3-methyl-1-oxobutan-2-yl)-3-(ethylamino)pyridine-4-carboxamide is sourced from PubChem (CID 106347123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).