(2R)-N-[(2S)-1-[(6-amino-3-pyridinyl)methylamino]-3-(3-methylphenyl)-1-oxopropan-2-yl]-1-propan-2-ylpyrrolidine-2-carboxamide

C24H33N5O2 — CID 91450594

IUPAC(2R)-N-[(2S)-1-[(6-amino-3-pyridinyl)methylamino]-3-(3-methylphenyl)-1-oxopropan-2-yl]-1-propan-2-ylpyrrolidine-2-carboxamide
SMILESCc1cccc(C[C@H](NC(=O)[C@H]2CCCN2C(C)C)C(=O)NCc2ccc(N)nc2)c1
InChIInChI=1S/C24H33N5O2/c1-16(2)29-11-5-8-21(29)24(31)28-20(13-18-7-4-6-17(3)12-18)23(30)27-15-19-9-10-22(25)26-14-19/h4,6-7,9-10,12,14,16,20-21H,5,8,11,13,15H2,1-3H3,(H2,25,26)(H,27,30)(H,28,31)/t20-,21+/m0/s1
InChIKeyFAAFPFRFZIBCNK-LEWJYISDSA-N
MW423.56 g/mol
LogP2.19
Rot. Bonds8

About (2R)-N-[(2S)-1-[(6-amino-3-pyridinyl)methylamino]-3-(3-methylphenyl)-1-oxopropan-2-yl]-1-propan-2-ylpyrrolidine-2-carboxamide

(2R)-N-[(2S)-1-[(6-amino-3-pyridinyl)methylamino]-3-(3-methylphenyl)-1-oxopropan-2-yl]-1-propan-2-ylpyrrolidine-2-carboxamide (PubChem CID 91450594) has the molecular formula C24H33N5O2 and a molecular weight of 423.56 g/mol. Its IUPAC name is (2R)-N-[(2S)-1-[(6-amino-3-pyridinyl)methylamino]-3-(3-methylphenyl)-1-oxopropan-2-yl]-1-propan-2-ylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[(2S)-1-[(6-amino-3-pyridinyl)methylamino]-3-(3-methylphenyl)-1-oxopropan-2-yl]-1-propan-2-ylpyrrolidine-2-carboxamide
PubChem CID91450594
Molecular FormulaC24H33N5O2
Molecular Weight423.56 g/mol
Exact Mass423.26
IUPAC Name(2R)-N-[(2S)-1-[(6-amino-3-pyridinyl)methylamino]-3-(3-methylphenyl)-1-oxopropan-2-yl]-1-propan-2-ylpyrrolidine-2-carboxamide
SMILESCc1cccc(C[C@H](NC(=O)[C@H]2CCCN2C(C)C)C(=O)NCc2ccc(N)nc2)c1
InChIInChI=1S/C24H33N5O2/c1-16(2)29-11-5-8-21(29)24(31)28-20(13-18-7-4-6-17(3)12-18)23(30)27-15-19-9-10-22(25)26-14-19/h4,6-7,9-10,12,14,16,20-21H,5,8,11,13,15H2,1-3H3,(H2,25,26)(H,27,30)(H,28,31)/t20-,21+/m0/s1
InChIKeyFAAFPFRFZIBCNK-LEWJYISDSA-N
XLogP2.19
TPSA100.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.56
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-[(2S)-1-[(6-amino-3-pyridinyl)methylamino]-3-(3,4-dichlorophenyl)-1-oxopropan-2-yl]-1-benzylpyrrolidine-2-carboxamide
CID 59252960
(2R)-N-[(2S)-1-[(6-amino-3-pyridinyl)methylamino]-3-(2-chlorophenyl)-1-oxopropan-2-yl]-1-methylpyrrolidine-2-carboxamide
CID 67029622
N-[(2S)-1-[(6-amino-3-pyridinyl)methylamino]-3-(3-methylphenyl)-1-oxopropan-2-yl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 91352252
(2S)-N'-[(6-amino-3-pyridinyl)methyl]-2-(3-methylphenyl)propanediamide
CID 68996888
(2R)-N-[(2S)-1-[(6-amino-3-pyridinyl)methylamino]-3-(3-fluorophenyl)-1-oxopropan-2-yl]-2-(dimethylamino)-3-methylpentanamide
CID 67029722
(2S)-N-[(6-amino-3-pyridinyl)methyl]-3-(3,4-difluorophenyl)-2-[2-(methylamino)propanoylamino]propanamide
CID 68529085
N-[(2S)-1-[(6-amino-3-pyridinyl)methylamino]-3-(3,4-difluorophenyl)-1-oxopropan-2-yl]-2-hydroxy-3-methylbutanamide
CID 67207201
N-[(2S)-1-[(6-amino-3-pyridinyl)methylamino]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-4-methyl-1H-pyrrole-2-carboxamide
CID 67030303
(2S)-N-[(6-amino-3-pyridinyl)methyl]-3-(3,4-difluorophenyl)-2-[[(2S)-2-[di(propan-2-yl)amino]propanoyl]amino]propanamide
CID 68529385
5-[[(2S)-1-[(6-amino-3-pyridinyl)methylamino]-1-oxo-3-[3-(trifluoromethyl)phenyl]propan-2-yl]carbamoyl]-4-methyl-1H-pyrrole-2-carboxylic acid
CID 67030098
N-[(2S)-1-[(6-amino-3-pyridinyl)methylamino]-3-(3,4-dichlorophenyl)-1-oxopropan-2-yl]-3-methyl-2-(methylamino)butanamide
CID 68531576
(2R)-N-[(2S)-1-[(6-amino-3-pyridinyl)methylamino]-3-(3,4-dichlorophenyl)-1-oxopropan-2-yl]-3-methyl-2-(methylamino)pentanamide
CID 59252924

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2S)-1-[(6-amino-3-pyridinyl)methylamino]-3-(3-methylphenyl)-1-oxopropan-2-yl]-1-propan-2-ylpyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-[(2S)-1-[(6-amino-3-pyridinyl)methylamino]-3-(3-methylphenyl)-1-oxopropan-2-yl]-1-propan-2-ylpyrrolidine-2-carboxamide (CID 91450594) is (2R)-N-[(2S)-1-[(6-amino-3-pyridinyl)methylamino]-3-(3-methylphenyl)-1-oxopropan-2-yl]-1-propan-2-ylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-[(2S)-1-[(6-amino-3-pyridinyl)methylamino]-3-(3-methylphenyl)-1-oxopropan-2-yl]-1-propan-2-ylpyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-[(2S)-1-[(6-amino-3-pyridinyl)methylamino]-3-(3-methylphenyl)-1-oxopropan-2-yl]-1-propan-2-ylpyrrolidine-2-carboxamide is Cc1cccc(C[C@H](NC(=O)[C@H]2CCCN2C(C)C)C(=O)NCc2ccc(N)nc2)c1.
What is the InChIKey of (2R)-N-[(2S)-1-[(6-amino-3-pyridinyl)methylamino]-3-(3-methylphenyl)-1-oxopropan-2-yl]-1-propan-2-ylpyrrolidine-2-carboxamide?
The InChIKey is FAAFPFRFZIBCNK-LEWJYISDSA-N. The full InChI is InChI=1S/C24H33N5O2/c1-16(2)29-11-5-8-21(29)24(31)28-20(13-18-7-4-6-17(3)12-18)23(30)27-15-19-9-10-22(25)26-14-19/h4,6-7,9-10,12,14,16,20-21H,5,8,11,13,15H2,1-3H3,(H2,25,26)(H,27,30)(H,28,31)/t20-,21+/m0/s1.
What are the key properties of (2R)-N-[(2S)-1-[(6-amino-3-pyridinyl)methylamino]-3-(3-methylphenyl)-1-oxopropan-2-yl]-1-propan-2-ylpyrrolidine-2-carboxamide?
(2R)-N-[(2S)-1-[(6-amino-3-pyridinyl)methylamino]-3-(3-methylphenyl)-1-oxopropan-2-yl]-1-propan-2-ylpyrrolidine-2-carboxamide has a molecular weight of 423.56 g/mol, XLogP of 2.19, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(2S)-1-[(6-amino-3-pyridinyl)methylamino]-3-(3-methylphenyl)-1-oxopropan-2-yl]-1-propan-2-ylpyrrolidine-2-carboxamide is sourced from PubChem (CID 91450594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).