but-2-enedioic acid;6-(5-cyano-2-hydroxy-1H-indol-3-yl)-N-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide

C25H25N5O6 — CID 173121140

IUPACbut-2-enedioic acid;6-(5-cyano-2-hydroxy-1H-indol-3-yl)-N-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide
SMILESN#Cc1ccc2[nH]c(O)c(-c3ccc(C(=O)NCCN4CCCC4)cn3)c2c1.O=C(O)C=CC(=O)O
InChIInChI=1S/C21H21N5O2.C4H4O4/c22-12-14-3-5-17-16(11-14)19(21(28)25-17)18-6-4-15(13-24-18)20(27)23-7-10-26-8-1-2-9-26;5-3(6)1-2-4(7)8/h3-6,11,13,25,28H,1-2,7-10H2,(H,23,27);1-2H,(H,5,6)(H,7,8)
InChIKeyQCYPSFQGPOIENZ-UHFFFAOYSA-N
MW491.50 g/mol
LogP2.34
Rot. Bonds7

About but-2-enedioic acid;6-(5-cyano-2-hydroxy-1H-indol-3-yl)-N-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide

but-2-enedioic acid;6-(5-cyano-2-hydroxy-1H-indol-3-yl)-N-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide (PubChem CID 173121140) has the molecular formula C25H25N5O6 and a molecular weight of 491.50 g/mol. Its IUPAC name is but-2-enedioic acid;6-(5-cyano-2-hydroxy-1H-indol-3-yl)-N-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Namebut-2-enedioic acid;6-(5-cyano-2-hydroxy-1H-indol-3-yl)-N-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide
PubChem CID173121140
Molecular FormulaC25H25N5O6
Molecular Weight491.50 g/mol
Exact Mass491.18
IUPAC Namebut-2-enedioic acid;6-(5-cyano-2-hydroxy-1H-indol-3-yl)-N-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide
SMILESN#Cc1ccc2[nH]c(O)c(-c3ccc(C(=O)NCCN4CCCC4)cn3)c2c1.O=C(O)C=CC(=O)O
InChIInChI=1S/C21H21N5O2.C4H4O4/c22-12-14-3-5-17-16(11-14)19(21(28)25-17)18-6-4-15(13-24-18)20(27)23-7-10-26-8-1-2-9-26;5-3(6)1-2-4(7)8/h3-6,11,13,25,28H,1-2,7-10H2,(H,23,27);1-2H,(H,5,6)(H,7,8)
InChIKeyQCYPSFQGPOIENZ-UHFFFAOYSA-N
XLogP2.34
TPSA179.64 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.50
LogP ≤ 52.34
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

6-(6-cyano-2-hydroxy-1H-indol-3-yl)-N-(2-pyrrolidin-1-ylethyl)pyridine-3-sulfonamide
CID 135496241
3-[5-[bis(azetidin-1-yl)methyl]-2-pyridinyl]-2-hydroxy-1H-indole-5-carbonitrile
CID 141195605
5-(2-pyrrolidin-1-ylethylcarbamoyl)pyridine-2-carboxylic acid
CID 60725088
2-hydroxy-3-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-1H-indole-5-carbonitrile
CID 135442674
N-(cyanomethyl)-2-hydroxy-3-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-1H-indole-5-carboxamide
CID 135545474
ethane;molecular hydrogen;N-(2-piperidin-1-ylethyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 156841300
4-cyano-N-(3-piperidin-1-ylpropyl)benzamide
CID 11608750
3-[[2-hydroxy-3-[5-(morpholin-4-ylmethyl)-2-pyridinyl]-1H-indole-5-carbonyl]amino]propane-1-sulfinic acid
CID 174495870
N-benzyl-2-hydroxy-3-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]-1H-indole-5-carboxamide;dihydrochloride
CID 135451047
2-hydroxy-3-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-N-propyl-1H-indole-5-carboxamide;hydrochloride
CID 135445222
N-(3-piperidin-1-ylpropyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 35377516
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

Frequently Asked Questions

What is the IUPAC name of but-2-enedioic acid;6-(5-cyano-2-hydroxy-1H-indol-3-yl)-N-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide?
The IUPAC name of but-2-enedioic acid;6-(5-cyano-2-hydroxy-1H-indol-3-yl)-N-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide (CID 173121140) is but-2-enedioic acid;6-(5-cyano-2-hydroxy-1H-indol-3-yl)-N-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide.
What is the SMILES notation for but-2-enedioic acid;6-(5-cyano-2-hydroxy-1H-indol-3-yl)-N-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide?
The canonical SMILES for but-2-enedioic acid;6-(5-cyano-2-hydroxy-1H-indol-3-yl)-N-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide is N#Cc1ccc2[nH]c(O)c(-c3ccc(C(=O)NCCN4CCCC4)cn3)c2c1.O=C(O)C=CC(=O)O.
What is the InChIKey of but-2-enedioic acid;6-(5-cyano-2-hydroxy-1H-indol-3-yl)-N-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide?
The InChIKey is QCYPSFQGPOIENZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2.C4H4O4/c22-12-14-3-5-17-16(11-14)19(21(28)25-17)18-6-4-15(13-24-18)20(27)23-7-10-26-8-1-2-9-26;5-3(6)1-2-4(7)8/h3-6,11,13,25,28H,1-2,7-10H2,(H,23,27);1-2H,(H,5,6)(H,7,8).
What are the key properties of but-2-enedioic acid;6-(5-cyano-2-hydroxy-1H-indol-3-yl)-N-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide?
but-2-enedioic acid;6-(5-cyano-2-hydroxy-1H-indol-3-yl)-N-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide has a molecular weight of 491.50 g/mol, XLogP of 2.34, 7 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for but-2-enedioic acid;6-(5-cyano-2-hydroxy-1H-indol-3-yl)-N-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide is sourced from PubChem (CID 173121140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).