N-[(2S)-2,5-diamino-4-hydroxypentyl]-3-phenyl-1H-indole-2-carboxamide;hydrochloride

C20H25ClN4O2 — CID 171762533

IUPACN-[(2S)-2,5-diamino-4-hydroxypentyl]-3-phenyl-1H-indole-2-carboxamide;hydrochloride
SMILESCl.NCC(O)C[C@H](N)CNC(=O)c1[nH]c2ccccc2c1-c1ccccc1
InChIInChI=1S/C20H24N4O2.ClH/c21-11-15(25)10-14(22)12-23-20(26)19-18(13-6-2-1-3-7-13)16-8-4-5-9-17(16)24-19;/h1-9,14-15,24-25H,10-12,21-22H2,(H,23,26);1H/t14-,15?;/m0./s1
InChIKeyPJYZTGUNHHJXQN-QDVCFFRGSA-N
MW388.90 g/mol
LogP2.02
Rot. Bonds7

About N-[(2S)-2,5-diamino-4-hydroxypentyl]-3-phenyl-1H-indole-2-carboxamide;hydrochloride

N-[(2S)-2,5-diamino-4-hydroxypentyl]-3-phenyl-1H-indole-2-carboxamide;hydrochloride (PubChem CID 171762533) has the molecular formula C20H25ClN4O2 and a molecular weight of 388.90 g/mol. Its IUPAC name is N-[(2S)-2,5-diamino-4-hydroxypentyl]-3-phenyl-1H-indole-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(2S)-2,5-diamino-4-hydroxypentyl]-3-phenyl-1H-indole-2-carboxamide;hydrochloride
PubChem CID171762533
Molecular FormulaC20H25ClN4O2
Molecular Weight388.90 g/mol
Exact Mass388.17
IUPAC NameN-[(2S)-2,5-diamino-4-hydroxypentyl]-3-phenyl-1H-indole-2-carboxamide;hydrochloride
SMILESCl.NCC(O)C[C@H](N)CNC(=O)c1[nH]c2ccccc2c1-c1ccccc1
InChIInChI=1S/C20H24N4O2.ClH/c21-11-15(25)10-14(22)12-23-20(26)19-18(13-6-2-1-3-7-13)16-8-4-5-9-17(16)24-19;/h1-9,14-15,24-25H,10-12,21-22H2,(H,23,26);1H/t14-,15?;/m0./s1
InChIKeyPJYZTGUNHHJXQN-QDVCFFRGSA-N
XLogP2.02
TPSA117.16 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.90
LogP ≤ 52.02
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-2-amino-4-hydroxyhexyl]-3-(2-chlorophenyl)-5-fluoro-1H-indole-2-carboxamide
CID 175625557
tert-butyl N-[(4S)-5-[[3-(4-fluorophenyl)-1H-indole-2-carbonyl]amino]-2-hydroxy-4-methylpentyl]carbamate
CID 175625877
N-(2-aminophenyl)-3-phenyl-1H-indole-2-carboxamide
CID 90732730
N-[(2S)-2,5-diaminopentyl]-3,5-bis(4-fluorophenyl)-1H-indole-2-carboxamide
CID 137385157
N-[(2S)-2,5-diaminopentyl]-3-(4-fluorophenyl)-7-hydroxy-1H-indole-2-carboxamide
CID 137385816
4-[2-[[(2R)-2,5-diaminopentyl]carbamoyl]-6-(4-fluorophenyl)-1H-indol-3-yl]benzoic acid
CID 137385206
N-(2,5-diaminohexyl)-3,6-bis(4-fluorophenyl)-1H-indole-2-carboxamide
CID 154944429
tert-butyl N-[(2S)-1-[[3-(4-fluorophenyl)-1H-indole-2-carbonyl]amino]-3-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentan-2-yl]carbamate
CID 166873095
5-fluoro-N-[(3-fluorophenyl)methyl]-3-phenyl-1H-indole-2-carboxamide
CID 21014400
N-[(2R)-2-amino-4-(aminomethyl)-5-hydroxypentyl]-3-cyclohexyl-5-fluoro-1H-indole-2-carboxamide;hydrochloride
CID 171762463
N-[(4-chlorophenyl)methyl]-5-fluoro-3-phenyl-1H-indole-2-carboxamide
CID 21014526
N-[(E)-(4-bromophenyl)methylideneamino]-3-phenyl-1H-indole-2-carboxamide
CID 10273493

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2,5-diamino-4-hydroxypentyl]-3-phenyl-1H-indole-2-carboxamide;hydrochloride?
The IUPAC name of N-[(2S)-2,5-diamino-4-hydroxypentyl]-3-phenyl-1H-indole-2-carboxamide;hydrochloride (CID 171762533) is N-[(2S)-2,5-diamino-4-hydroxypentyl]-3-phenyl-1H-indole-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[(2S)-2,5-diamino-4-hydroxypentyl]-3-phenyl-1H-indole-2-carboxamide;hydrochloride?
The canonical SMILES for N-[(2S)-2,5-diamino-4-hydroxypentyl]-3-phenyl-1H-indole-2-carboxamide;hydrochloride is Cl.NCC(O)C[C@H](N)CNC(=O)c1[nH]c2ccccc2c1-c1ccccc1.
What is the InChIKey of N-[(2S)-2,5-diamino-4-hydroxypentyl]-3-phenyl-1H-indole-2-carboxamide;hydrochloride?
The InChIKey is PJYZTGUNHHJXQN-QDVCFFRGSA-N. The full InChI is InChI=1S/C20H24N4O2.ClH/c21-11-15(25)10-14(22)12-23-20(26)19-18(13-6-2-1-3-7-13)16-8-4-5-9-17(16)24-19;/h1-9,14-15,24-25H,10-12,21-22H2,(H,23,26);1H/t14-,15?;/m0./s1.
What are the key properties of N-[(2S)-2,5-diamino-4-hydroxypentyl]-3-phenyl-1H-indole-2-carboxamide;hydrochloride?
N-[(2S)-2,5-diamino-4-hydroxypentyl]-3-phenyl-1H-indole-2-carboxamide;hydrochloride has a molecular weight of 388.90 g/mol, XLogP of 2.02, 7 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2,5-diamino-4-hydroxypentyl]-3-phenyl-1H-indole-2-carboxamide;hydrochloride is sourced from PubChem (CID 171762533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).