N-[2-(carbamoylamino)ethyl]-4-(ethylamino)-6-methylpyridine-3-carboxamide

C12H19N5O2 — CID 83114995

IUPACN-[2-(carbamoylamino)ethyl]-4-(ethylamino)-6-methylpyridine-3-carboxamide
SMILESCCNc1cc(C)ncc1C(=O)NCCNC(N)=O
InChIInChI=1S/C12H19N5O2/c1-3-14-10-6-8(2)17-7-9(10)11(18)15-4-5-16-12(13)19/h6-7H,3-5H2,1-2H3,(H,14,17)(H,15,18)(H3,13,16,19)
InChIKeyLWHUTMHSRYHEGP-UHFFFAOYSA-N
MW265.32 g/mol
LogP0.22
Rot. Bonds6

About N-[2-(carbamoylamino)ethyl]-4-(ethylamino)-6-methylpyridine-3-carboxamide

N-[2-(carbamoylamino)ethyl]-4-(ethylamino)-6-methylpyridine-3-carboxamide (PubChem CID 83114995) has the molecular formula C12H19N5O2 and a molecular weight of 265.32 g/mol. Its IUPAC name is N-[2-(carbamoylamino)ethyl]-4-(ethylamino)-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(carbamoylamino)ethyl]-4-(ethylamino)-6-methylpyridine-3-carboxamide
PubChem CID83114995
Molecular FormulaC12H19N5O2
Molecular Weight265.32 g/mol
Exact Mass265.15
IUPAC NameN-[2-(carbamoylamino)ethyl]-4-(ethylamino)-6-methylpyridine-3-carboxamide
SMILESCCNc1cc(C)ncc1C(=O)NCCNC(N)=O
InChIInChI=1S/C12H19N5O2/c1-3-14-10-6-8(2)17-7-9(10)11(18)15-4-5-16-12(13)19/h6-7H,3-5H2,1-2H3,(H,14,17)(H,15,18)(H3,13,16,19)
InChIKeyLWHUTMHSRYHEGP-UHFFFAOYSA-N
XLogP0.22
TPSA109.14 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 50.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[2-(carbamoylamino)ethyl]-4-(ethylamino)-6-methylpyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(ethylamino)-6-methyl-N-propylpyridine-3-carboxamide
CID 81236373
4-(ethylamino)-6-methyl-N-(2-propan-2-yloxyethyl)pyridine-3-carboxamide
CID 104765505
4-(ethylamino)-6-methyl-N-(5-methylhexyl)pyridine-3-carboxamide
CID 115327297
N-(3-amino-3-oxopropyl)-6-methyl-4-(propylamino)pyridine-3-carboxamide
CID 81243302
4-(ethylamino)-6-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]pyridine-3-carboxamide
CID 81240303
4-(ethylamino)-6-methyl-N-(5,5,5-trifluoropentyl)pyridine-3-carboxamide
CID 115522163
4-(ethylamino)-6-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide
CID 81241331
N-butyl-6-methyl-4-(propylamino)pyridine-3-carboxamide
CID 81235324
N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-4-(ethylamino)-6-methylpyridine-3-carboxamide
CID 106280158
4-(ethylamino)-6-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-3-carboxamide
CID 81243046
N-[2-(ethylamino)-2-oxoethyl]-6-methyl-4-(propylamino)pyridine-3-carboxamide
CID 81243009
4-(ethylamino)-6-methyl-N-(2,4,4-trimethylpentan-2-yl)pyridine-3-carboxamide
CID 81237438

Frequently Asked Questions

What is the IUPAC name of N-[2-(carbamoylamino)ethyl]-4-(ethylamino)-6-methylpyridine-3-carboxamide?
The IUPAC name of N-[2-(carbamoylamino)ethyl]-4-(ethylamino)-6-methylpyridine-3-carboxamide (CID 83114995) is N-[2-(carbamoylamino)ethyl]-4-(ethylamino)-6-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[2-(carbamoylamino)ethyl]-4-(ethylamino)-6-methylpyridine-3-carboxamide?
The canonical SMILES for N-[2-(carbamoylamino)ethyl]-4-(ethylamino)-6-methylpyridine-3-carboxamide is CCNc1cc(C)ncc1C(=O)NCCNC(N)=O.
What is the InChIKey of N-[2-(carbamoylamino)ethyl]-4-(ethylamino)-6-methylpyridine-3-carboxamide?
The InChIKey is LWHUTMHSRYHEGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2/c1-3-14-10-6-8(2)17-7-9(10)11(18)15-4-5-16-12(13)19/h6-7H,3-5H2,1-2H3,(H,14,17)(H,15,18)(H3,13,16,19).
What are the key properties of N-[2-(carbamoylamino)ethyl]-4-(ethylamino)-6-methylpyridine-3-carboxamide?
N-[2-(carbamoylamino)ethyl]-4-(ethylamino)-6-methylpyridine-3-carboxamide has a molecular weight of 265.32 g/mol, XLogP of 0.22, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(carbamoylamino)ethyl]-4-(ethylamino)-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 83114995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).