5-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]-[(3R)-3-hydroxybutyl]amino]-N-methylindole-1-carboxamide

C23H27N5O3 — CID 118901174

IUPAC5-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]-[(3R)-3-hydroxybutyl]amino]-N-methylindole-1-carboxamide
SMILESCNC(=O)n1ccc2cc(N(CC[C@@H](C)O)c3ccnc(NC(=O)C4CC4)c3)ccc21
InChIInChI=1S/C23H27N5O3/c1-15(29)8-11-27(19-7-10-25-21(14-19)26-22(30)16-3-4-16)18-5-6-20-17(13-18)9-12-28(20)23(31)24-2/h5-7,9-10,12-16,29H,3-4,8,11H2,1-2H3,(H,24,31)(H,25,26,30)/t15-/m1/s1
InChIKeyGMDHLKULGXQCLZ-OAHLLOKOSA-N
MW421.50 g/mol
LogP3.48
Rot. Bonds7

About 5-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]-[(3R)-3-hydroxybutyl]amino]-N-methylindole-1-carboxamide

5-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]-[(3R)-3-hydroxybutyl]amino]-N-methylindole-1-carboxamide (PubChem CID 118901174) has the molecular formula C23H27N5O3 and a molecular weight of 421.50 g/mol. Its IUPAC name is 5-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]-[(3R)-3-hydroxybutyl]amino]-N-methylindole-1-carboxamide.

Molecular Properties

Compound Name5-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]-[(3R)-3-hydroxybutyl]amino]-N-methylindole-1-carboxamide
PubChem CID118901174
Molecular FormulaC23H27N5O3
Molecular Weight421.50 g/mol
Exact Mass421.21
IUPAC Name5-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]-[(3R)-3-hydroxybutyl]amino]-N-methylindole-1-carboxamide
SMILESCNC(=O)n1ccc2cc(N(CC[C@@H](C)O)c3ccnc(NC(=O)C4CC4)c3)ccc21
InChIInChI=1S/C23H27N5O3/c1-15(29)8-11-27(19-7-10-25-21(14-19)26-22(30)16-3-4-16)18-5-6-20-17(13-18)9-12-28(20)23(31)24-2/h5-7,9-10,12-16,29H,3-4,8,11H2,1-2H3,(H,24,31)(H,25,26,30)/t15-/m1/s1
InChIKeyGMDHLKULGXQCLZ-OAHLLOKOSA-N
XLogP3.48
TPSA99.49 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 53.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 5-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]-[(3R)-3-hydroxybutyl]amino]-N-methylindole-1-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

5-[2-methoxyethyl-[2-[[4-(1-propan-2-ylpiperidin-4-yl)benzoyl]amino]-4-pyridinyl]amino]-N-methylindole-1-carboxamide
CID 118900989
5-[[2-[[4-[2-(4-hydroxypiperidin-1-yl)ethoxy]benzoyl]amino]-4-pyridinyl]-(3-methoxybutyl)amino]-N-methylindole-1-carboxamide
CID 118901124
ethane;5-[3-methoxypropyl-[2-[(4-piperidin-4-ylbenzoyl)amino]-4-pyridinyl]amino]-N-methylindole-1-carboxamide
CID 145020851
5-[[2-[[4-[(4-hydroxypiperidin-1-yl)methyl]benzoyl]amino]-4-pyridinyl]-(2-methoxyethyl)amino]-N-methylindole-1-carboxamide
CID 118901235
tert-butyl 4-[4-[[4-[[1-(methylcarbamoyl)indol-5-yl]-(2-propan-2-yloxyethyl)amino]-2-pyridinyl]carbamoyl]phenyl]piperidine-1-carboxylate
CID 118901067
5-[[2-[[4-[1-(1-hydroxypropan-2-yl)piperidin-4-yl]benzoyl]amino]-4-pyridinyl]-(2-propan-2-yloxyethyl)amino]-N-methylindole-1-carboxamide
CID 118901027
5-[(3-hydroxy-3-methylbutyl)-[2-[[4-[[3-hydroxypentyl(methyl)amino]methyl]benzoyl]amino]-4-pyridinyl]amino]-N-methylindole-1-carboxamide
CID 145020847
5-[2-ethoxyethyl-[2-[[4-(1-ethylpiperidin-4-yl)benzoyl]amino]-4-pyridinyl]amino]-N-methylindole-1-carboxamide
CID 118901009
5-[(3-methoxy-3-methylbutyl)-[2-[(1-methylpyrazole-4-carbonyl)amino]-4-pyridinyl]amino]-N-methylindole-1-carboxamide
CID 118900987
5-[[2-(dimethylamino)-2-oxoethyl]-[2-[[4-(1-methylpiperidin-4-yl)benzoyl]amino]-4-pyridinyl]amino]-N-methylindole-1-carboxamide
CID 118901203
5-[2-fluoroethyl-[2-[[4-(2-morpholin-4-ylethyl)benzoyl]amino]-4-pyridinyl]amino]-N-methylindole-1-carboxamide
CID 118901127
5-[[2-[[4-[1-[3-(hydroxymethyl)cyclobutyl]piperidin-4-yl]benzoyl]amino]-4-pyridinyl]-methylamino]-N-methylindole-1-carboxamide
CID 145020875

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]-[(3R)-3-hydroxybutyl]amino]-N-methylindole-1-carboxamide?
The IUPAC name of 5-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]-[(3R)-3-hydroxybutyl]amino]-N-methylindole-1-carboxamide (CID 118901174) is 5-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]-[(3R)-3-hydroxybutyl]amino]-N-methylindole-1-carboxamide.
What is the SMILES notation for 5-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]-[(3R)-3-hydroxybutyl]amino]-N-methylindole-1-carboxamide?
The canonical SMILES for 5-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]-[(3R)-3-hydroxybutyl]amino]-N-methylindole-1-carboxamide is CNC(=O)n1ccc2cc(N(CC[C@@H](C)O)c3ccnc(NC(=O)C4CC4)c3)ccc21.
What is the InChIKey of 5-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]-[(3R)-3-hydroxybutyl]amino]-N-methylindole-1-carboxamide?
The InChIKey is GMDHLKULGXQCLZ-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H27N5O3/c1-15(29)8-11-27(19-7-10-25-21(14-19)26-22(30)16-3-4-16)18-5-6-20-17(13-18)9-12-28(20)23(31)24-2/h5-7,9-10,12-16,29H,3-4,8,11H2,1-2H3,(H,24,31)(H,25,26,30)/t15-/m1/s1.
What are the key properties of 5-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]-[(3R)-3-hydroxybutyl]amino]-N-methylindole-1-carboxamide?
5-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]-[(3R)-3-hydroxybutyl]amino]-N-methylindole-1-carboxamide has a molecular weight of 421.50 g/mol, XLogP of 3.48, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]-[(3R)-3-hydroxybutyl]amino]-N-methylindole-1-carboxamide is sourced from PubChem (CID 118901174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).