[1-[[1-[(6-amino-2-methyl-3-pyridinyl)methylamino]-1-oxopropan-2-yl]amino]-1-oxo-4-phenylbutan-2-yl] carbamate

C21H27N5O4 — CID 175130377

IUPAC[1-[[1-[(6-amino-2-methyl-3-pyridinyl)methylamino]-1-oxopropan-2-yl]amino]-1-oxo-4-phenylbutan-2-yl] carbamate
SMILESCc1nc(N)ccc1CNC(=O)C(C)NC(=O)C(CCc1ccccc1)OC(N)=O
InChIInChI=1S/C21H27N5O4/c1-13-16(9-11-18(22)25-13)12-24-19(27)14(2)26-20(28)17(30-21(23)29)10-8-15-6-4-3-5-7-15/h3-7,9,11,14,17H,8,10,12H2,1-2H3,(H2,22,25)(H2,23,29)(H,24,27)(H,26,28)
InChIKeyZMQZHPTZPRZLSR-UHFFFAOYSA-N
MW413.48 g/mol
LogP1.19
Rot. Bonds9

About [1-[[1-[(6-amino-2-methyl-3-pyridinyl)methylamino]-1-oxopropan-2-yl]amino]-1-oxo-4-phenylbutan-2-yl] carbamate

[1-[[1-[(6-amino-2-methyl-3-pyridinyl)methylamino]-1-oxopropan-2-yl]amino]-1-oxo-4-phenylbutan-2-yl] carbamate (PubChem CID 175130377) has the molecular formula C21H27N5O4 and a molecular weight of 413.48 g/mol. Its IUPAC name is [1-[[1-[(6-amino-2-methyl-3-pyridinyl)methylamino]-1-oxopropan-2-yl]amino]-1-oxo-4-phenylbutan-2-yl] carbamate.

Molecular Properties

Compound Name[1-[[1-[(6-amino-2-methyl-3-pyridinyl)methylamino]-1-oxopropan-2-yl]amino]-1-oxo-4-phenylbutan-2-yl] carbamate
PubChem CID175130377
Molecular FormulaC21H27N5O4
Molecular Weight413.48 g/mol
Exact Mass413.21
IUPAC Name[1-[[1-[(6-amino-2-methyl-3-pyridinyl)methylamino]-1-oxopropan-2-yl]amino]-1-oxo-4-phenylbutan-2-yl] carbamate
SMILESCc1nc(N)ccc1CNC(=O)C(C)NC(=O)C(CCc1ccccc1)OC(N)=O
InChIInChI=1S/C21H27N5O4/c1-13-16(9-11-18(22)25-13)12-24-19(27)14(2)26-20(28)17(30-21(23)29)10-8-15-6-4-3-5-7-15/h3-7,9,11,14,17H,8,10,12H2,1-2H3,(H2,22,25)(H2,23,29)(H,24,27)(H,26,28)
InChIKeyZMQZHPTZPRZLSR-UHFFFAOYSA-N
XLogP1.19
TPSA149.43 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 51.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze [1-[[1-[(6-amino-2-methyl-3-pyridinyl)methylamino]-1-oxopropan-2-yl]amino]-1-oxo-4-phenylbutan-2-yl] carbamate with MolForge

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Launch Full Analysis

Related Compounds

2-[1-(4-acetamidophenyl)ethylamino]-N-[1-[(6-amino-2-methyl-3-pyridinyl)methylamino]-1-oxopropan-2-yl]-4-phenylbutanamide;dihydrochloride
CID 175126384
[(2R)-1-[[(2S)-1-[(4-aminoquinazolin-7-yl)methylamino]-1-oxopropan-2-yl]amino]-1-oxo-4-phenylbutan-2-yl] carbamate
CID 175136317
[1-[[1-[(3-chloro-5-cyanophenyl)methylamino]-1-oxopropan-2-yl]amino]-1-oxo-4-phenylbutan-2-yl] carbamate
CID 175129400
N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[[2-[3-(3-hydroxyphenyl)propylamino]acetyl]amino]propanamide
CID 156851544
(2S)-N-[(2S)-1-[(6-amino-2-methyl-3-pyridinyl)methylamino]-1-oxopropan-2-yl]-4-benzylpiperidine-2-carboxamide
CID 166752536
(2R,4S)-N-[(2S)-1-[(6-amino-2-methyl-3-pyridinyl)methylamino]-1-oxopropan-2-yl]-4-[(4-methylnaphthalen-1-yl)methyl]pyrrolidine-2-carboxamide
CID 149338240
1-[(2S)-1-[(6-amino-2-methyl-3-pyridinyl)methylamino]-3-hydroxy-1-oxopropan-2-yl]-4-benzylpyrrolidine-2-carboxamide
CID 162450035
(2R)-2-(carbamoylamino)-N-(3-phenylpropyl)propanamide
CID 94187133
(2R)-2-amino-N-[(2S)-1-[(2-amino-4-pyridinyl)methylamino]-1-oxopropan-2-yl]-4-phenylbutanamide;dihydrochloride
CID 156653750
[(2S)-1-oxo-1-(3-phenylpropylamino)propan-2-yl]carbamic acid
CID 70494365
(2S)-N-[(2S)-1-(naphthalen-1-ylmethylamino)-1-oxopropan-2-yl]-2-(4-phenylbutanoylamino)butanediamide
CID 118234330
6-amino-3-chloro-N-(4-phenylbutan-2-yl)pyridine-2-carboxamide
CID 62186305

Frequently Asked Questions

What is the IUPAC name of [1-[[1-[(6-amino-2-methyl-3-pyridinyl)methylamino]-1-oxopropan-2-yl]amino]-1-oxo-4-phenylbutan-2-yl] carbamate?
The IUPAC name of [1-[[1-[(6-amino-2-methyl-3-pyridinyl)methylamino]-1-oxopropan-2-yl]amino]-1-oxo-4-phenylbutan-2-yl] carbamate (CID 175130377) is [1-[[1-[(6-amino-2-methyl-3-pyridinyl)methylamino]-1-oxopropan-2-yl]amino]-1-oxo-4-phenylbutan-2-yl] carbamate.
What is the SMILES notation for [1-[[1-[(6-amino-2-methyl-3-pyridinyl)methylamino]-1-oxopropan-2-yl]amino]-1-oxo-4-phenylbutan-2-yl] carbamate?
The canonical SMILES for [1-[[1-[(6-amino-2-methyl-3-pyridinyl)methylamino]-1-oxopropan-2-yl]amino]-1-oxo-4-phenylbutan-2-yl] carbamate is Cc1nc(N)ccc1CNC(=O)C(C)NC(=O)C(CCc1ccccc1)OC(N)=O.
What is the InChIKey of [1-[[1-[(6-amino-2-methyl-3-pyridinyl)methylamino]-1-oxopropan-2-yl]amino]-1-oxo-4-phenylbutan-2-yl] carbamate?
The InChIKey is ZMQZHPTZPRZLSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O4/c1-13-16(9-11-18(22)25-13)12-24-19(27)14(2)26-20(28)17(30-21(23)29)10-8-15-6-4-3-5-7-15/h3-7,9,11,14,17H,8,10,12H2,1-2H3,(H2,22,25)(H2,23,29)(H,24,27)(H,26,28).
What are the key properties of [1-[[1-[(6-amino-2-methyl-3-pyridinyl)methylamino]-1-oxopropan-2-yl]amino]-1-oxo-4-phenylbutan-2-yl] carbamate?
[1-[[1-[(6-amino-2-methyl-3-pyridinyl)methylamino]-1-oxopropan-2-yl]amino]-1-oxo-4-phenylbutan-2-yl] carbamate has a molecular weight of 413.48 g/mol, XLogP of 1.19, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[1-[(6-amino-2-methyl-3-pyridinyl)methylamino]-1-oxopropan-2-yl]amino]-1-oxo-4-phenylbutan-2-yl] carbamate is sourced from PubChem (CID 175130377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).