(2R)-2-amino-3-(1H-indol-3-yl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]propanamide

C21H25N5O2 — CID 56746946

IUPAC(2R)-2-amino-3-(1H-indol-3-yl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]propanamide
SMILESN[C@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cccnc1N1CCOCC1
InChIInChI=1S/C21H25N5O2/c22-18(12-16-14-24-19-6-2-1-5-17(16)19)21(27)25-13-15-4-3-7-23-20(15)26-8-10-28-11-9-26/h1-7,14,18,24H,8-13,22H2,(H,25,27)/t18-/m1/s1
InChIKeyDXXFSCGYFPCPBJ-GOSISDBHSA-N
MW379.46 g/mol
LogP1.59
Rot. Bonds6

About (2R)-2-amino-3-(1H-indol-3-yl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]propanamide

(2R)-2-amino-3-(1H-indol-3-yl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]propanamide (PubChem CID 56746946) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is (2R)-2-amino-3-(1H-indol-3-yl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]propanamide.

Molecular Properties

Compound Name(2R)-2-amino-3-(1H-indol-3-yl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]propanamide
PubChem CID56746946
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC Name(2R)-2-amino-3-(1H-indol-3-yl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]propanamide
SMILESN[C@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cccnc1N1CCOCC1
InChIInChI=1S/C21H25N5O2/c22-18(12-16-14-24-19-6-2-1-5-17(16)19)21(27)25-13-15-4-3-7-23-20(15)26-8-10-28-11-9-26/h1-7,14,18,24H,8-13,22H2,(H,25,27)/t18-/m1/s1
InChIKeyDXXFSCGYFPCPBJ-GOSISDBHSA-N
XLogP1.59
TPSA96.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2R)-2-amino-3-(1H-indol-3-yl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]propanamide with MolForge

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Launch Full Analysis

Related Compounds

2-(1H-indol-3-yl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]acetamide
CID 25479539
4-(1H-indol-3-yl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]butanamide
CID 38541510
(2S)-2-amino-3-(1H-indol-3-yl)-N-(3-morpholin-4-yl-3-oxopropyl)propanamide
CID 119956298
(2S)-2-amino-3-(1H-indol-3-yl)-N-(2-methyl-2-morpholin-4-ylpropyl)propanamide;dihydrochloride
CID 119957860
2-(1H-indol-3-yl)-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]acetamide
CID 47081718
2-amino-N-(1H-imidazol-2-ylmethyl)-3-(1H-indol-3-yl)propanamide
CID 77043322
(2S)-2-amino-3-(1H-indol-3-yl)-N-[(1-methylpyrazol-4-yl)methyl]propanamide;hydrochloride
CID 119956973
2-amino-3-(1H-indol-3-yl)-N-[(4-methylphenyl)methyl]propanamide
CID 57128204
2-amino-3-(1H-indol-3-yl)-N-(1H-pyrrol-3-ylmethyl)propanamide
CID 106384838
(2R)-2-amino-3-(1H-indol-3-yl)-N-(1H-pyrazol-5-ylmethyl)propanamide
CID 104910842
(2S)-2-amino-3-(1H-indol-3-yl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)propanamide
CID 119956280
(2S)-2-amino-N-[12-[[(2R)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]dodecyl]-3-(1H-indol-3-yl)propanamide
CID 138706600

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-(1H-indol-3-yl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]propanamide?
The IUPAC name of (2R)-2-amino-3-(1H-indol-3-yl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]propanamide (CID 56746946) is (2R)-2-amino-3-(1H-indol-3-yl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]propanamide.
What is the SMILES notation for (2R)-2-amino-3-(1H-indol-3-yl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]propanamide?
The canonical SMILES for (2R)-2-amino-3-(1H-indol-3-yl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]propanamide is N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cccnc1N1CCOCC1.
What is the InChIKey of (2R)-2-amino-3-(1H-indol-3-yl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]propanamide?
The InChIKey is DXXFSCGYFPCPBJ-GOSISDBHSA-N. The full InChI is InChI=1S/C21H25N5O2/c22-18(12-16-14-24-19-6-2-1-5-17(16)19)21(27)25-13-15-4-3-7-23-20(15)26-8-10-28-11-9-26/h1-7,14,18,24H,8-13,22H2,(H,25,27)/t18-/m1/s1.
What are the key properties of (2R)-2-amino-3-(1H-indol-3-yl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]propanamide?
(2R)-2-amino-3-(1H-indol-3-yl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]propanamide has a molecular weight of 379.46 g/mol, XLogP of 1.59, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-(1H-indol-3-yl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]propanamide is sourced from PubChem (CID 56746946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).