4-[5-[(4-cyanopyridine-2-carbonyl)amino]-1-methylindol-3-yl]piperidine-1-carboxylic acid

C22H21N5O3 — CID 118865629

IUPAC4-[5-[(4-cyanopyridine-2-carbonyl)amino]-1-methylindol-3-yl]piperidine-1-carboxylic acid
SMILESCn1cc(C2CCN(C(=O)O)CC2)c2cc(NC(=O)c3cc(C#N)ccn3)ccc21
InChIInChI=1S/C22H21N5O3/c1-26-13-18(15-5-8-27(9-6-15)22(29)30)17-11-16(2-3-20(17)26)25-21(28)19-10-14(12-23)4-7-24-19/h2-4,7,10-11,13,15H,5-6,8-9H2,1H3,(H,25,28)(H,29,30)
InChIKeyRLCSXWRBRWMRAA-UHFFFAOYSA-N
MW403.44 g/mol
LogP3.55
Rot. Bonds3

About 4-[5-[(4-cyanopyridine-2-carbonyl)amino]-1-methylindol-3-yl]piperidine-1-carboxylic acid

4-[5-[(4-cyanopyridine-2-carbonyl)amino]-1-methylindol-3-yl]piperidine-1-carboxylic acid (PubChem CID 118865629) has the molecular formula C22H21N5O3 and a molecular weight of 403.44 g/mol. Its IUPAC name is 4-[5-[(4-cyanopyridine-2-carbonyl)amino]-1-methylindol-3-yl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[5-[(4-cyanopyridine-2-carbonyl)amino]-1-methylindol-3-yl]piperidine-1-carboxylic acid
PubChem CID118865629
Molecular FormulaC22H21N5O3
Molecular Weight403.44 g/mol
Exact Mass403.16
IUPAC Name4-[5-[(4-cyanopyridine-2-carbonyl)amino]-1-methylindol-3-yl]piperidine-1-carboxylic acid
SMILESCn1cc(C2CCN(C(=O)O)CC2)c2cc(NC(=O)c3cc(C#N)ccn3)ccc21
InChIInChI=1S/C22H21N5O3/c1-26-13-18(15-5-8-27(9-6-15)22(29)30)17-11-16(2-3-20(17)26)25-21(28)19-10-14(12-23)4-7-24-19/h2-4,7,10-11,13,15H,5-6,8-9H2,1H3,(H,25,28)(H,29,30)
InChIKeyRLCSXWRBRWMRAA-UHFFFAOYSA-N
XLogP3.55
TPSA111.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[5-[(4-cyanopyridine-2-carbonyl)amino]-1-methylindol-3-yl]piperidine-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-cyano-N-[3-[1-(3,3-difluorocyclopentanecarbonyl)piperidin-4-yl]-1-methylindol-5-yl]pyridine-2-carboxamide
CID 118865635
4-cyano-N-[1-ethyl-3-(1-formylpiperidin-4-yl)indol-5-yl]pyridine-2-carboxamide
CID 137414218
4-cyano-N-[1-methyl-3-[1-methyl-1-(3,3,3-trifluoropropanoyl)piperidin-1-ium-4-yl]indol-5-yl]pyridine-2-carboxamide
CID 123281688
2-[2-[3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1-methylindol-5-yl]acetyl]pyridine-4-carbonitrile
CID 147676230
4-cyano-N-[7-[1-(cyclopentanecarbonyl)piperidin-4-yl]-5-methylpyrrolo[3,2-d]pyrimidin-2-yl]pyridine-2-carboxamide
CID 118865601
tert-butyl 4-[5-[(3-cyanobenzoyl)amino]-1-methylindol-3-yl]piperidine-1-carboxylate
CID 131746026
4-cyano-N-(3-heptan-4-yl-1-methylindol-5-yl)pyridine-2-carboxamide;2-methylpentan-3-one
CID 144782957
4-(6-cyanoquinolin-4-yl)piperidine-1-carboxylic acid
CID 138687738
1-(2-cyanoethyl)-3-[3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1-methylindol-5-yl]-1-methylurea
CID 118865713
cyclopentyl-[4-[1-methyl-5-(phenylsulfanylamino)indol-3-yl]piperidin-1-yl]methanone
CID 135234993
N-[3-[1-(2,2-difluorocyclopropanecarbonyl)piperidin-4-yl]-1-methylindol-5-yl]formamide
CID 135235029
ethyl 4-[[2-[(3-cyanophenyl)carbamoyl]-4-pyridinyl]amino]piperidine-1-carboxylate
CID 109215897

Frequently Asked Questions

What is the IUPAC name of 4-[5-[(4-cyanopyridine-2-carbonyl)amino]-1-methylindol-3-yl]piperidine-1-carboxylic acid?
The IUPAC name of 4-[5-[(4-cyanopyridine-2-carbonyl)amino]-1-methylindol-3-yl]piperidine-1-carboxylic acid (CID 118865629) is 4-[5-[(4-cyanopyridine-2-carbonyl)amino]-1-methylindol-3-yl]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[5-[(4-cyanopyridine-2-carbonyl)amino]-1-methylindol-3-yl]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[5-[(4-cyanopyridine-2-carbonyl)amino]-1-methylindol-3-yl]piperidine-1-carboxylic acid is Cn1cc(C2CCN(C(=O)O)CC2)c2cc(NC(=O)c3cc(C#N)ccn3)ccc21.
What is the InChIKey of 4-[5-[(4-cyanopyridine-2-carbonyl)amino]-1-methylindol-3-yl]piperidine-1-carboxylic acid?
The InChIKey is RLCSXWRBRWMRAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O3/c1-26-13-18(15-5-8-27(9-6-15)22(29)30)17-11-16(2-3-20(17)26)25-21(28)19-10-14(12-23)4-7-24-19/h2-4,7,10-11,13,15H,5-6,8-9H2,1H3,(H,25,28)(H,29,30).
What are the key properties of 4-[5-[(4-cyanopyridine-2-carbonyl)amino]-1-methylindol-3-yl]piperidine-1-carboxylic acid?
4-[5-[(4-cyanopyridine-2-carbonyl)amino]-1-methylindol-3-yl]piperidine-1-carboxylic acid has a molecular weight of 403.44 g/mol, XLogP of 3.55, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(4-cyanopyridine-2-carbonyl)amino]-1-methylindol-3-yl]piperidine-1-carboxylic acid is sourced from PubChem (CID 118865629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).