2-[[(1R)-2-[[2-[(6-amino-2-methyl-3-pyridinyl)methylcarbamoyl]-1,3-dihydroinden-2-yl]amino]-1-cyclohexyl-2-oxoethyl]amino]acetic acid

C27H35N5O4 — CID 69426591

IUPAC2-[[(1R)-2-[[2-[(6-amino-2-methyl-3-pyridinyl)methylcarbamoyl]-1,3-dihydroinden-2-yl]amino]-1-cyclohexyl-2-oxoethyl]amino]acetic acid
SMILESCc1nc(N)ccc1CNC(=O)C1(NC(=O)[C@H](NCC(=O)O)C2CCCCC2)Cc2ccccc2C1
InChIInChI=1S/C27H35N5O4/c1-17-21(11-12-22(28)31-17)15-30-26(36)27(13-19-9-5-6-10-20(19)14-27)32-25(35)24(29-16-23(33)34)18-7-3-2-4-8-18/h5-6,9-12,18,24,29H,2-4,7-8,13-16H2,1H3,(H2,28,31)(H,30,36)(H,32,35)(H,33,34)/t24-/m1/s1
InChIKeyUDBYKXUMPMAYAV-XMMPIXPASA-N
MW493.61 g/mol
LogP1.87
Rot. Bonds9

About 2-[[(1R)-2-[[2-[(6-amino-2-methyl-3-pyridinyl)methylcarbamoyl]-1,3-dihydroinden-2-yl]amino]-1-cyclohexyl-2-oxoethyl]amino]acetic acid

2-[[(1R)-2-[[2-[(6-amino-2-methyl-3-pyridinyl)methylcarbamoyl]-1,3-dihydroinden-2-yl]amino]-1-cyclohexyl-2-oxoethyl]amino]acetic acid (PubChem CID 69426591) has the molecular formula C27H35N5O4 and a molecular weight of 493.61 g/mol. Its IUPAC name is 2-[[(1R)-2-[[2-[(6-amino-2-methyl-3-pyridinyl)methylcarbamoyl]-1,3-dihydroinden-2-yl]amino]-1-cyclohexyl-2-oxoethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[(1R)-2-[[2-[(6-amino-2-methyl-3-pyridinyl)methylcarbamoyl]-1,3-dihydroinden-2-yl]amino]-1-cyclohexyl-2-oxoethyl]amino]acetic acid
PubChem CID69426591
Molecular FormulaC27H35N5O4
Molecular Weight493.61 g/mol
Exact Mass493.27
IUPAC Name2-[[(1R)-2-[[2-[(6-amino-2-methyl-3-pyridinyl)methylcarbamoyl]-1,3-dihydroinden-2-yl]amino]-1-cyclohexyl-2-oxoethyl]amino]acetic acid
SMILESCc1nc(N)ccc1CNC(=O)C1(NC(=O)[C@H](NCC(=O)O)C2CCCCC2)Cc2ccccc2C1
InChIInChI=1S/C27H35N5O4/c1-17-21(11-12-22(28)31-17)15-30-26(36)27(13-19-9-5-6-10-20(19)14-27)32-25(35)24(29-16-23(33)34)18-7-3-2-4-8-18/h5-6,9-12,18,24,29H,2-4,7-8,13-16H2,1H3,(H2,28,31)(H,30,36)(H,32,35)(H,33,34)/t24-/m1/s1
InChIKeyUDBYKXUMPMAYAV-XMMPIXPASA-N
XLogP1.87
TPSA146.44 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.61
LogP ≤ 51.87
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Analyze 2-[[(1R)-2-[[2-[(6-amino-2-methyl-3-pyridinyl)methylcarbamoyl]-1,3-dihydroinden-2-yl]amino]-1-cyclohexyl-2-oxoethyl]amino]acetic 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

2-[[(1R)-1-cyclohexyl-2-[[2-[[4-(N-methoxycarbonylcarbamimidoyl)phenyl]methylcarbamoyl]-1,3-dihydroinden-2-yl]amino]-2-oxoethyl]amino]acetic acid
CID 173168243
N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-(2-ethylanilino)-1,3-dihydroindene-2-carboxamide
CID 69425820
2-[[(2R)-1-[[2-[(4-carbamimidoylphenyl)methylcarbamoyl]-1,3-dihydroinden-2-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]amino]acetic acid
CID 10256095
ethyl 2-[[(2R)-1-[(1S,6R)-1-[(6-amino-2-methyl-3-pyridinyl)methylcarbamoyl]-2-azabicyclo[4.1.0]heptan-2-yl]-3-cyclohexyl-1-oxopropan-2-yl]amino]acetate
CID 20684694
2-[[(2R)-1-[[2-[(4-carbamimidoylphenyl)methylcarbamoyl]-1,3-dihydroinden-2-yl]amino]-3,3-dimethyl-1-oxobutan-2-yl]amino]acetic acid;dihydrochloride
CID 69430666
N-[(6-amino-2-methyl-3-pyridinyl)methyl]azetidine-2-carboxamide
CID 153286771
(1R)-N-[(2S)-1-[(6-amino-2-methyl-3-pyridinyl)methylamino]-1-oxopropan-2-yl]-3,3-bis[(4-fluorophenyl)methyl]cyclopentane-1-carboxamide
CID 147173808
2-[[(1R)-2-[[2-[(4-carbamimidoylphenyl)methylamino]-2-oxoethyl]amino]-1-cyclohexyl-2-oxoethyl]amino]acetic acid
CID 149069071
(3S)-3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ylmethyl)-N'-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-propan-2-ylbutanediamide
CID 140547491
1-[[(2R)-2-(benzylsulfonylamino)-2-cyclohexylacetyl]amino]-N-[(4-carbamimidoylphenyl)methyl]cyclohexane-1-carboxamide
CID 69427499
(2R,4S)-N-[(2S)-1-[(6-amino-2-methyl-3-pyridinyl)methylamino]-1-oxopropan-2-yl]-4-phenylpiperidine-2-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 175888564
[1-[[1-[(6-amino-2-methyl-3-pyridinyl)methylamino]-1-oxopropan-2-yl]amino]-1-oxo-4-phenylbutan-2-yl] carbamate
CID 175130377

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R)-2-[[2-[(6-amino-2-methyl-3-pyridinyl)methylcarbamoyl]-1,3-dihydroinden-2-yl]amino]-1-cyclohexyl-2-oxoethyl]amino]acetic acid?
The IUPAC name of 2-[[(1R)-2-[[2-[(6-amino-2-methyl-3-pyridinyl)methylcarbamoyl]-1,3-dihydroinden-2-yl]amino]-1-cyclohexyl-2-oxoethyl]amino]acetic acid (CID 69426591) is 2-[[(1R)-2-[[2-[(6-amino-2-methyl-3-pyridinyl)methylcarbamoyl]-1,3-dihydroinden-2-yl]amino]-1-cyclohexyl-2-oxoethyl]amino]acetic acid.
What is the SMILES notation for 2-[[(1R)-2-[[2-[(6-amino-2-methyl-3-pyridinyl)methylcarbamoyl]-1,3-dihydroinden-2-yl]amino]-1-cyclohexyl-2-oxoethyl]amino]acetic acid?
The canonical SMILES for 2-[[(1R)-2-[[2-[(6-amino-2-methyl-3-pyridinyl)methylcarbamoyl]-1,3-dihydroinden-2-yl]amino]-1-cyclohexyl-2-oxoethyl]amino]acetic acid is Cc1nc(N)ccc1CNC(=O)C1(NC(=O)[C@H](NCC(=O)O)C2CCCCC2)Cc2ccccc2C1.
What is the InChIKey of 2-[[(1R)-2-[[2-[(6-amino-2-methyl-3-pyridinyl)methylcarbamoyl]-1,3-dihydroinden-2-yl]amino]-1-cyclohexyl-2-oxoethyl]amino]acetic acid?
The InChIKey is UDBYKXUMPMAYAV-XMMPIXPASA-N. The full InChI is InChI=1S/C27H35N5O4/c1-17-21(11-12-22(28)31-17)15-30-26(36)27(13-19-9-5-6-10-20(19)14-27)32-25(35)24(29-16-23(33)34)18-7-3-2-4-8-18/h5-6,9-12,18,24,29H,2-4,7-8,13-16H2,1H3,(H2,28,31)(H,30,36)(H,32,35)(H,33,34)/t24-/m1/s1.
What are the key properties of 2-[[(1R)-2-[[2-[(6-amino-2-methyl-3-pyridinyl)methylcarbamoyl]-1,3-dihydroinden-2-yl]amino]-1-cyclohexyl-2-oxoethyl]amino]acetic acid?
2-[[(1R)-2-[[2-[(6-amino-2-methyl-3-pyridinyl)methylcarbamoyl]-1,3-dihydroinden-2-yl]amino]-1-cyclohexyl-2-oxoethyl]amino]acetic acid has a molecular weight of 493.61 g/mol, XLogP of 1.87, 9 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R)-2-[[2-[(6-amino-2-methyl-3-pyridinyl)methylcarbamoyl]-1,3-dihydroinden-2-yl]amino]-1-cyclohexyl-2-oxoethyl]amino]acetic acid is sourced from PubChem (CID 69426591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).