(2R)-N-(2-methoxy-5-nitrophenyl)-2-[methyl-[2-[(5-methyl-2-pyridinyl)amino]-2-oxoethyl]amino]propanamide

C19H23N5O5 — CID 52512652

IUPAC(2R)-N-(2-methoxy-5-nitrophenyl)-2-[methyl-[2-[(5-methyl-2-pyridinyl)amino]-2-oxoethyl]amino]propanamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N(C)CC(=O)Nc1ccc(C)cn1
InChIInChI=1S/C19H23N5O5/c1-12-5-8-17(20-10-12)22-18(25)11-23(3)13(2)19(26)21-15-9-14(24(27)28)6-7-16(15)29-4/h5-10,13H,11H2,1-4H3,(H,21,26)(H,20,22,25)/t13-/m1/s1
InChIKeyNUPLOAYWCMLDJR-CYBMUJFWSA-N
MW401.42 g/mol
LogP2.20
Rot. Bonds8

About (2R)-N-(2-methoxy-5-nitrophenyl)-2-[methyl-[2-[(5-methyl-2-pyridinyl)amino]-2-oxoethyl]amino]propanamide

(2R)-N-(2-methoxy-5-nitrophenyl)-2-[methyl-[2-[(5-methyl-2-pyridinyl)amino]-2-oxoethyl]amino]propanamide (PubChem CID 52512652) has the molecular formula C19H23N5O5 and a molecular weight of 401.42 g/mol. Its IUPAC name is (2R)-N-(2-methoxy-5-nitrophenyl)-2-[methyl-[2-[(5-methyl-2-pyridinyl)amino]-2-oxoethyl]amino]propanamide.

Molecular Properties

Compound Name(2R)-N-(2-methoxy-5-nitrophenyl)-2-[methyl-[2-[(5-methyl-2-pyridinyl)amino]-2-oxoethyl]amino]propanamide
PubChem CID52512652
Molecular FormulaC19H23N5O5
Molecular Weight401.42 g/mol
Exact Mass401.17
IUPAC Name(2R)-N-(2-methoxy-5-nitrophenyl)-2-[methyl-[2-[(5-methyl-2-pyridinyl)amino]-2-oxoethyl]amino]propanamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N(C)CC(=O)Nc1ccc(C)cn1
InChIInChI=1S/C19H23N5O5/c1-12-5-8-17(20-10-12)22-18(25)11-23(3)13(2)19(26)21-15-9-14(24(27)28)6-7-16(15)29-4/h5-10,13H,11H2,1-4H3,(H,21,26)(H,20,22,25)/t13-/m1/s1
InChIKeyNUPLOAYWCMLDJR-CYBMUJFWSA-N
XLogP2.20
TPSA126.70 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.42
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (2R)-N-(2-methoxy-5-nitrophenyl)-2-[methyl-[2-[(5-methyl-2-pyridinyl)amino]-2-oxoethyl]amino]propanamide with MolForge

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Related Compounds

3-[[1-(2-methoxy-5-nitroanilino)-1-oxopropan-2-yl]-methylamino]propanoic acid;hydrochloride
CID 119911801
N-(2-methoxy-5-nitrophenyl)-2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]propanamide
CID 55351428
2-[[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-methylamino]-N-(2-methoxy-5-nitrophenyl)propanamide
CID 4967366
(2S)-2-[(4-chlorophenyl)methyl-methylamino]-N-(2-methoxy-5-nitrophenyl)propanamide
CID 2657422
(2R)-2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-(2-methoxy-5-nitrophenyl)propanamide
CID 9295189
2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-N-(2-methoxy-5-nitrophenyl)propanamide
CID 46809805
(2S)-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-N-(2-methoxy-5-nitrophenyl)propanamide
CID 9431803
[(2R)-1-(2-methoxy-5-nitroanilino)-1-oxopropan-2-yl] 5-methylpyrazine-2-carboxylate
CID 2587142
(2S)-N-(2-chloro-5-nitrophenyl)-2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]propanamide
CID 41093919
2-[(3-cyanophenyl)methyl-methylamino]-N-(2-methoxy-5-nitrophenyl)propanamide
CID 55628443
1-(2-methoxy-5-methylphenyl)-3-(5-nitro-2-pyridinyl)thiourea
CID 19686414
N-(2-methoxy-5-nitrophenyl)-2-(methylamino)propanamide
CID 60638823

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-methoxy-5-nitrophenyl)-2-[methyl-[2-[(5-methyl-2-pyridinyl)amino]-2-oxoethyl]amino]propanamide?
The IUPAC name of (2R)-N-(2-methoxy-5-nitrophenyl)-2-[methyl-[2-[(5-methyl-2-pyridinyl)amino]-2-oxoethyl]amino]propanamide (CID 52512652) is (2R)-N-(2-methoxy-5-nitrophenyl)-2-[methyl-[2-[(5-methyl-2-pyridinyl)amino]-2-oxoethyl]amino]propanamide.
What is the SMILES notation for (2R)-N-(2-methoxy-5-nitrophenyl)-2-[methyl-[2-[(5-methyl-2-pyridinyl)amino]-2-oxoethyl]amino]propanamide?
The canonical SMILES for (2R)-N-(2-methoxy-5-nitrophenyl)-2-[methyl-[2-[(5-methyl-2-pyridinyl)amino]-2-oxoethyl]amino]propanamide is COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N(C)CC(=O)Nc1ccc(C)cn1.
What is the InChIKey of (2R)-N-(2-methoxy-5-nitrophenyl)-2-[methyl-[2-[(5-methyl-2-pyridinyl)amino]-2-oxoethyl]amino]propanamide?
The InChIKey is NUPLOAYWCMLDJR-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H23N5O5/c1-12-5-8-17(20-10-12)22-18(25)11-23(3)13(2)19(26)21-15-9-14(24(27)28)6-7-16(15)29-4/h5-10,13H,11H2,1-4H3,(H,21,26)(H,20,22,25)/t13-/m1/s1.
What are the key properties of (2R)-N-(2-methoxy-5-nitrophenyl)-2-[methyl-[2-[(5-methyl-2-pyridinyl)amino]-2-oxoethyl]amino]propanamide?
(2R)-N-(2-methoxy-5-nitrophenyl)-2-[methyl-[2-[(5-methyl-2-pyridinyl)amino]-2-oxoethyl]amino]propanamide has a molecular weight of 401.42 g/mol, XLogP of 2.20, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-methoxy-5-nitrophenyl)-2-[methyl-[2-[(5-methyl-2-pyridinyl)amino]-2-oxoethyl]amino]propanamide is sourced from PubChem (CID 52512652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).