4-amino-5-cyano-N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-6-ethoxypyridine-2-carboxamide

C19H21N5O2 — CID 70924623

IUPAC4-amino-5-cyano-N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-6-ethoxypyridine-2-carboxamide
SMILESCCOc1nc(C(=O)NCCC2CNc3ccccc32)cc(N)c1C#N
InChIInChI=1S/C19H21N5O2/c1-2-26-19-14(10-20)15(21)9-17(24-19)18(25)22-8-7-12-11-23-16-6-4-3-5-13(12)16/h3-6,9,12,23H,2,7-8,11H2,1H3,(H2,21,24)(H,22,25)
InChIKeyBXALXKNSDGAKQC-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.26
Rot. Bonds6

About 4-amino-5-cyano-N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-6-ethoxypyridine-2-carboxamide

4-amino-5-cyano-N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-6-ethoxypyridine-2-carboxamide (PubChem CID 70924623) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is 4-amino-5-cyano-N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-6-ethoxypyridine-2-carboxamide.

Molecular Properties

Compound Name4-amino-5-cyano-N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-6-ethoxypyridine-2-carboxamide
PubChem CID70924623
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name4-amino-5-cyano-N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-6-ethoxypyridine-2-carboxamide
SMILESCCOc1nc(C(=O)NCCC2CNc3ccccc32)cc(N)c1C#N
InChIInChI=1S/C19H21N5O2/c1-2-26-19-14(10-20)15(21)9-17(24-19)18(25)22-8-7-12-11-23-16-6-4-3-5-13(12)16/h3-6,9,12,23H,2,7-8,11H2,1H3,(H2,21,24)(H,22,25)
InChIKeyBXALXKNSDGAKQC-UHFFFAOYSA-N
XLogP2.26
TPSA113.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-amino-5-cyano-N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-6-ethoxypyridine-2-carboxamide with MolForge

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Related Compounds

4-amino-5-cyano-N-(cyclopropylmethyl)-6-ethoxypyridine-2-carboxamide
CID 70924791
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-methylsulfanylpropyl)pyridine-2-carboxamide
CID 66920839
4-amino-5-cyano-6-ethoxy-N-[3-(4-methylpiperazin-1-yl)propyl]pyridine-2-carboxamide
CID 70924901
4-amino-5-cyano-6-ethoxy-N-[(3-fluorophenyl)methyl]pyridine-2-carboxamide
CID 11493365
4-[[(4-amino-5-cyano-6-ethoxypyridine-2-carbonyl)amino]methyl]benzoic acid
CID 66920940
N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-1-methylpyrazole-3-carboxamide
CID 103117423
methyl 4-[[(4-amino-5-cyano-6-ethoxypyridine-2-carbonyl)amino]methyl]piperidine-1-carboxylate
CID 66920745
4-amino-5-cyano-6-ethoxy-N-[(4-nitrophenyl)methyl]pyridine-2-carboxamide
CID 11522966
4-amino-5-cyano-6-ethoxy-N-[(4-fluoro-3-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 66920814
4-amino-5-cyano-6-ethoxy-N-[[1-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]methyl]pyridine-2-carboxamide
CID 46836252

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-cyano-N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-6-ethoxypyridine-2-carboxamide?
The IUPAC name of 4-amino-5-cyano-N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-6-ethoxypyridine-2-carboxamide (CID 70924623) is 4-amino-5-cyano-N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-6-ethoxypyridine-2-carboxamide.
What is the SMILES notation for 4-amino-5-cyano-N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-6-ethoxypyridine-2-carboxamide?
The canonical SMILES for 4-amino-5-cyano-N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-6-ethoxypyridine-2-carboxamide is CCOc1nc(C(=O)NCCC2CNc3ccccc32)cc(N)c1C#N.
What is the InChIKey of 4-amino-5-cyano-N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-6-ethoxypyridine-2-carboxamide?
The InChIKey is BXALXKNSDGAKQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-2-26-19-14(10-20)15(21)9-17(24-19)18(25)22-8-7-12-11-23-16-6-4-3-5-13(12)16/h3-6,9,12,23H,2,7-8,11H2,1H3,(H2,21,24)(H,22,25).
What are the key properties of 4-amino-5-cyano-N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-6-ethoxypyridine-2-carboxamide?
4-amino-5-cyano-N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-6-ethoxypyridine-2-carboxamide has a molecular weight of 351.41 g/mol, XLogP of 2.26, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-cyano-N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-6-ethoxypyridine-2-carboxamide is sourced from PubChem (CID 70924623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).