6-cyano-4-(propan-2-ylamino)-9H-pyrido[2,3-b]indole-3-carboxylic acid

C16H14N4O2 — CID 166070085

IUPAC6-cyano-4-(propan-2-ylamino)-9H-pyrido[2,3-b]indole-3-carboxylic acid
SMILESCC(C)Nc1c(C(=O)O)cnc2[nH]c3ccc(C#N)cc3c12
InChIInChI=1S/C16H14N4O2/c1-8(2)19-14-11(16(21)22)7-18-15-13(14)10-5-9(6-17)3-4-12(10)20-15/h3-5,7-8H,1-2H3,(H,21,22)(H2,18,19,20)
InChIKeyHZNQYKWXPBYYEX-UHFFFAOYSA-N
MW294.31 g/mol
LogP3.11
Rot. Bonds3

About 6-cyano-4-(propan-2-ylamino)-9H-pyrido[2,3-b]indole-3-carboxylic acid

6-cyano-4-(propan-2-ylamino)-9H-pyrido[2,3-b]indole-3-carboxylic acid (PubChem CID 166070085) has the molecular formula C16H14N4O2 and a molecular weight of 294.31 g/mol. Its IUPAC name is 6-cyano-4-(propan-2-ylamino)-9H-pyrido[2,3-b]indole-3-carboxylic acid.

Molecular Properties

Compound Name6-cyano-4-(propan-2-ylamino)-9H-pyrido[2,3-b]indole-3-carboxylic acid
PubChem CID166070085
Molecular FormulaC16H14N4O2
Molecular Weight294.31 g/mol
Exact Mass294.11
IUPAC Name6-cyano-4-(propan-2-ylamino)-9H-pyrido[2,3-b]indole-3-carboxylic acid
SMILESCC(C)Nc1c(C(=O)O)cnc2[nH]c3ccc(C#N)cc3c12
InChIInChI=1S/C16H14N4O2/c1-8(2)19-14-11(16(21)22)7-18-15-13(14)10-5-9(6-17)3-4-12(10)20-15/h3-5,7-8H,1-2H3,(H,21,22)(H2,18,19,20)
InChIKeyHZNQYKWXPBYYEX-UHFFFAOYSA-N
XLogP3.11
TPSA101.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

7-cyano-N-(3-hydroxycyclobutyl)-4-(propan-2-ylamino)-5H-pyrido[3,2-b]indole-3-carboxamide
CID 166707759
7-cyano-N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-4-(propan-2-ylamino)-5H-pyrido[3,2-b]indole-3-carboxamide
CID 166693625
6-cyano-4-oxo-1H-quinoline-2-carboxylic acid
CID 21099564
7-cyano-N-[(3S)-3-cyclopropyl-3-hydroxypropyl]-4-(propan-2-ylamino)-5H-pyrido[3,2-b]indole-3-carboxamide
CID 166693647
3-chloro-4-[4-[2-[(2R)-pyrrolidin-2-yl]acetyl]piperazin-1-yl]-9H-pyrido[2,3-b]indole-6-carbonitrile
CID 58365153
7-cyano-N-[(1,1-dihydroxythiolan-3-yl)methyl]-4-(propan-2-ylamino)-5H-pyrido[3,2-b]indole-3-carboxamide
CID 166693839
12,14-dioxo-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17(22),18,20-nonaene-7,19-dicarbonitrile
CID 147368491
2-[(1R)-1-aminoethyl]-5-cyanobenzoic acid
CID 131081776
4-(propan-2-ylamino)quinoline-6-carbonitrile
CID 146403404
7-cyano-N-(3-hydroxy-3-methylbutyl)-4-(propan-2-ylamino)-[1,4]benzodioxino[3,2-b]pyridine-3-carboxamide
CID 156822645
but-2-enedioic acid;6-(5-cyano-2-hydroxy-1H-indol-3-yl)-N-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide
CID 173121140
4-(5-cyano-2-methoxyphenyl)-6-methylpyridine-3-carboxylic acid
CID 155342269

Frequently Asked Questions

What is the IUPAC name of 6-cyano-4-(propan-2-ylamino)-9H-pyrido[2,3-b]indole-3-carboxylic acid?
The IUPAC name of 6-cyano-4-(propan-2-ylamino)-9H-pyrido[2,3-b]indole-3-carboxylic acid (CID 166070085) is 6-cyano-4-(propan-2-ylamino)-9H-pyrido[2,3-b]indole-3-carboxylic acid.
What is the SMILES notation for 6-cyano-4-(propan-2-ylamino)-9H-pyrido[2,3-b]indole-3-carboxylic acid?
The canonical SMILES for 6-cyano-4-(propan-2-ylamino)-9H-pyrido[2,3-b]indole-3-carboxylic acid is CC(C)Nc1c(C(=O)O)cnc2[nH]c3ccc(C#N)cc3c12.
What is the InChIKey of 6-cyano-4-(propan-2-ylamino)-9H-pyrido[2,3-b]indole-3-carboxylic acid?
The InChIKey is HZNQYKWXPBYYEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2/c1-8(2)19-14-11(16(21)22)7-18-15-13(14)10-5-9(6-17)3-4-12(10)20-15/h3-5,7-8H,1-2H3,(H,21,22)(H2,18,19,20).
What are the key properties of 6-cyano-4-(propan-2-ylamino)-9H-pyrido[2,3-b]indole-3-carboxylic acid?
6-cyano-4-(propan-2-ylamino)-9H-pyrido[2,3-b]indole-3-carboxylic acid has a molecular weight of 294.31 g/mol, XLogP of 3.11, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyano-4-(propan-2-ylamino)-9H-pyrido[2,3-b]indole-3-carboxylic acid is sourced from PubChem (CID 166070085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).