4-amino-5-cyano-6-ethoxy-N-[3-(4-methylpiperazin-1-yl)propyl]pyridine-2-carboxamide

C17H26N6O2 — CID 70924901

IUPAC4-amino-5-cyano-6-ethoxy-N-[3-(4-methylpiperazin-1-yl)propyl]pyridine-2-carboxamide
SMILESCCOc1nc(C(=O)NCCCN2CCN(C)CC2)cc(N)c1C#N
InChIInChI=1S/C17H26N6O2/c1-3-25-17-13(12-18)14(19)11-15(21-17)16(24)20-5-4-6-23-9-7-22(2)8-10-23/h11H,3-10H2,1-2H3,(H2,19,21)(H,20,24)
InChIKeyHNQHUSHMDXANSS-UHFFFAOYSA-N
MW346.44 g/mol
LogP0.30
Rot. Bonds7

About 4-amino-5-cyano-6-ethoxy-N-[3-(4-methylpiperazin-1-yl)propyl]pyridine-2-carboxamide

4-amino-5-cyano-6-ethoxy-N-[3-(4-methylpiperazin-1-yl)propyl]pyridine-2-carboxamide (PubChem CID 70924901) has the molecular formula C17H26N6O2 and a molecular weight of 346.44 g/mol. Its IUPAC name is 4-amino-5-cyano-6-ethoxy-N-[3-(4-methylpiperazin-1-yl)propyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-amino-5-cyano-6-ethoxy-N-[3-(4-methylpiperazin-1-yl)propyl]pyridine-2-carboxamide
PubChem CID70924901
Molecular FormulaC17H26N6O2
Molecular Weight346.44 g/mol
Exact Mass346.21
IUPAC Name4-amino-5-cyano-6-ethoxy-N-[3-(4-methylpiperazin-1-yl)propyl]pyridine-2-carboxamide
SMILESCCOc1nc(C(=O)NCCCN2CCN(C)CC2)cc(N)c1C#N
InChIInChI=1S/C17H26N6O2/c1-3-25-17-13(12-18)14(19)11-15(21-17)16(24)20-5-4-6-23-9-7-22(2)8-10-23/h11H,3-10H2,1-2H3,(H2,19,21)(H,20,24)
InChIKeyHNQHUSHMDXANSS-UHFFFAOYSA-N
XLogP0.30
TPSA107.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.44
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-amino-5-cyano-6-ethoxy-N-(3-methylsulfanylpropyl)pyridine-2-carboxamide
CID 66920839
methyl 4-[[(4-amino-5-cyano-6-ethoxypyridine-2-carbonyl)amino]methyl]piperidine-1-carboxylate
CID 66920745
4-amino-5-cyano-6-ethoxy-N-(2-pyridin-3-ylethyl)pyridine-2-carboxamide
CID 70924870
4-amino-5-cyano-6-ethoxy-N-phenylpyridine-2-carboxamide
CID 70924732
4-amino-5-cyano-6-ethoxy-N-[(3-fluorophenyl)methyl]pyridine-2-carboxamide
CID 11493365
4-amino-5-cyano-6-ethoxy-N-[[1-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]piperidin-4-yl]methyl]pyridine-2-carboxamide
CID 58503955
4-amino-5-cyano-6-ethoxy-N-[(4-methylpiperidin-4-yl)methyl]pyridine-2-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 87227068
3,4-diamino-N-[3-(4-methylpiperazin-1-yl)propyl]benzamide
CID 18999787
6-(4-acetylpiperazin-1-yl)-4-amino-2-ethoxypyridine-3-carbonitrile
CID 70924776
4-amino-5-cyano-6-ethoxy-N-[[4-methoxy-1-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]methyl]pyridine-2-carboxamide
CID 66989148
2-amino-N-[3-(4-methylpiperazin-1-yl)propyl]benzamide
CID 61249597
6-amino-N-[3-(4-methylpiperazin-1-yl)propyl]pyridine-3-carboxamide
CID 70906155

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-cyano-6-ethoxy-N-[3-(4-methylpiperazin-1-yl)propyl]pyridine-2-carboxamide?
The IUPAC name of 4-amino-5-cyano-6-ethoxy-N-[3-(4-methylpiperazin-1-yl)propyl]pyridine-2-carboxamide (CID 70924901) is 4-amino-5-cyano-6-ethoxy-N-[3-(4-methylpiperazin-1-yl)propyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-amino-5-cyano-6-ethoxy-N-[3-(4-methylpiperazin-1-yl)propyl]pyridine-2-carboxamide?
The canonical SMILES for 4-amino-5-cyano-6-ethoxy-N-[3-(4-methylpiperazin-1-yl)propyl]pyridine-2-carboxamide is CCOc1nc(C(=O)NCCCN2CCN(C)CC2)cc(N)c1C#N.
What is the InChIKey of 4-amino-5-cyano-6-ethoxy-N-[3-(4-methylpiperazin-1-yl)propyl]pyridine-2-carboxamide?
The InChIKey is HNQHUSHMDXANSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6O2/c1-3-25-17-13(12-18)14(19)11-15(21-17)16(24)20-5-4-6-23-9-7-22(2)8-10-23/h11H,3-10H2,1-2H3,(H2,19,21)(H,20,24).
What are the key properties of 4-amino-5-cyano-6-ethoxy-N-[3-(4-methylpiperazin-1-yl)propyl]pyridine-2-carboxamide?
4-amino-5-cyano-6-ethoxy-N-[3-(4-methylpiperazin-1-yl)propyl]pyridine-2-carboxamide has a molecular weight of 346.44 g/mol, XLogP of 0.30, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-cyano-6-ethoxy-N-[3-(4-methylpiperazin-1-yl)propyl]pyridine-2-carboxamide is sourced from PubChem (CID 70924901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).