N-[[5-(6-chloro-3-cyano-1-methylindol-2-yl)-3-pyridinyl]methyl]formamide

C17H13ClN4O — CID 141352800

IUPACN-[[5-(6-chloro-3-cyano-1-methylindol-2-yl)-3-pyridinyl]methyl]formamide
SMILESCn1c(-c2cncc(CNC=O)c2)c(C#N)c2ccc(Cl)cc21
InChIInChI=1S/C17H13ClN4O/c1-22-16-5-13(18)2-3-14(16)15(6-19)17(22)12-4-11(7-20-9-12)8-21-10-23/h2-5,7,9-10H,8H2,1H3,(H,21,23)
InChIKeyJNTWBLTZRVVTTQ-UHFFFAOYSA-N
MW324.77 g/mol
LogP3.01
Rot. Bonds4

About N-[[5-(6-chloro-3-cyano-1-methylindol-2-yl)-3-pyridinyl]methyl]formamide

N-[[5-(6-chloro-3-cyano-1-methylindol-2-yl)-3-pyridinyl]methyl]formamide (PubChem CID 141352800) has the molecular formula C17H13ClN4O and a molecular weight of 324.77 g/mol. Its IUPAC name is N-[[5-(6-chloro-3-cyano-1-methylindol-2-yl)-3-pyridinyl]methyl]formamide.

Molecular Properties

Compound NameN-[[5-(6-chloro-3-cyano-1-methylindol-2-yl)-3-pyridinyl]methyl]formamide
PubChem CID141352800
Molecular FormulaC17H13ClN4O
Molecular Weight324.77 g/mol
Exact Mass324.08
IUPAC NameN-[[5-(6-chloro-3-cyano-1-methylindol-2-yl)-3-pyridinyl]methyl]formamide
SMILESCn1c(-c2cncc(CNC=O)c2)c(C#N)c2ccc(Cl)cc21
InChIInChI=1S/C17H13ClN4O/c1-22-16-5-13(18)2-3-14(16)15(6-19)17(22)12-4-11(7-20-9-12)8-21-10-23/h2-5,7,9-10H,8H2,1H3,(H,21,23)
InChIKeyJNTWBLTZRVVTTQ-UHFFFAOYSA-N
XLogP3.01
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.77
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[2-({2-[6-Chloro-1-(4-fluoro-phenyl)-1H-indol-3-yl]-ethyl}-methyl-amino)-ethyl]-imidazolidin-2-one
CID 10645487
N-(4-chlorobenzyl)-3-(1-methyl-1H-indol-3-yl)propanamide
CID 16019089
2-(3-cyano-1H-indol-1-yl)-N-(3-pyridinylmethyl)acetamide
CID 894234
(2Z)-N-(3-Chlorophenyl)-2-cyano-3-{1-[(3-methylphenyl)methyl]-1H-indol-3-YL}prop-2-enamide
CID 15991157
(2Z)-N-(3-Chlorophenyl)-2-cyano-3-{1-[(4-methylphenyl)methyl]-1H-indol-3-YL}prop-2-enamide
CID 15991165
1-(3-chlorobenzyl)-1H-indole-3-carbonitrile
CID 2236605
1-(2-{4-[6-Chloro-1-(4-fluoro-phenyl)-1H-indol-3-yl]-piperidin-1-yl}-ethyl)-imidazolidin-2-one
CID 9889487
1-(2-{4-[6-Chloro-1-(4-fluoro-phenyl)-1H-indol-3-yl]-piperidin-1-yl}-ethyl)-1,3-dimethyl-urea
CID 10026395
2-Imidazolidinone,1-[2-[4-[6-chloro-3-(4-fluorophenyl)-1h-indol-1-yl]-1-piperidinyl]ethyl]-
CID 10094822
3-(2-{4-[6-Chloro-1-(4-fluoro-phenyl)-1H-indol-3-yl]-piperidin-1-yl}-ethyl)-1,1-dimethyl-urea
CID 10321160
1-(2-{4-[6-Chloro-1-(4-fluoro-phenyl)-1H-indol-3-yl]-piperidin-1-yl}-ethyl)-3-isopropyl-1-methyl-urea
CID 10322519
1-{2-[4-(6-Chloro-1H-indol-3-yl)-piperidin-1-yl]-ethyl}-3-isopropyl-imidazolidin-2-one
CID 11741028

Frequently Asked Questions

What is the IUPAC name of N-[[5-(6-chloro-3-cyano-1-methylindol-2-yl)-3-pyridinyl]methyl]formamide?
The IUPAC name of N-[[5-(6-chloro-3-cyano-1-methylindol-2-yl)-3-pyridinyl]methyl]formamide (CID 141352800) is N-[[5-(6-chloro-3-cyano-1-methylindol-2-yl)-3-pyridinyl]methyl]formamide.
What is the SMILES notation for N-[[5-(6-chloro-3-cyano-1-methylindol-2-yl)-3-pyridinyl]methyl]formamide?
The canonical SMILES for N-[[5-(6-chloro-3-cyano-1-methylindol-2-yl)-3-pyridinyl]methyl]formamide is Cn1c(-c2cncc(CNC=O)c2)c(C#N)c2ccc(Cl)cc21.
What is the InChIKey of N-[[5-(6-chloro-3-cyano-1-methylindol-2-yl)-3-pyridinyl]methyl]formamide?
The InChIKey is JNTWBLTZRVVTTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN4O/c1-22-16-5-13(18)2-3-14(16)15(6-19)17(22)12-4-11(7-20-9-12)8-21-10-23/h2-5,7,9-10H,8H2,1H3,(H,21,23).
What are the key properties of N-[[5-(6-chloro-3-cyano-1-methylindol-2-yl)-3-pyridinyl]methyl]formamide?
N-[[5-(6-chloro-3-cyano-1-methylindol-2-yl)-3-pyridinyl]methyl]formamide has a molecular weight of 324.77 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(6-chloro-3-cyano-1-methylindol-2-yl)-3-pyridinyl]methyl]formamide is sourced from PubChem (CID 141352800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).