N-(5-amino-2-pyridinyl)-2,2-dimethylpropanamide;2,2-dimethyl-N-(5-nitro-2-pyridinyl)propanamide

C20H28N6O4 — CID 157357531

IUPACN-(5-amino-2-pyridinyl)-2,2-dimethylpropanamide;2,2-dimethyl-N-(5-nitro-2-pyridinyl)propanamide
SMILESCC(C)(C)C(=O)Nc1ccc(N)cn1.CC(C)(C)C(=O)Nc1ccc([N+](=O)[O-])cn1
InChIInChI=1S/C10H13N3O3.C10H15N3O/c1-10(2,3)9(14)12-8-5-4-7(6-11-8)13(15)16;1-10(2,3)9(14)13-8-5-4-7(11)6-12-8/h4-6H,1-3H3,(H,11,12,14);4-6H,11H2,1-3H3,(H,12,13,14)
InChIKeyBIGNLWKERNIECE-UHFFFAOYSA-N
MW416.48 g/mol
LogP3.62
Rot. Bonds3

About N-(5-amino-2-pyridinyl)-2,2-dimethylpropanamide;2,2-dimethyl-N-(5-nitro-2-pyridinyl)propanamide

N-(5-amino-2-pyridinyl)-2,2-dimethylpropanamide;2,2-dimethyl-N-(5-nitro-2-pyridinyl)propanamide (PubChem CID 157357531) has the molecular formula C20H28N6O4 and a molecular weight of 416.48 g/mol. Its IUPAC name is N-(5-amino-2-pyridinyl)-2,2-dimethylpropanamide;2,2-dimethyl-N-(5-nitro-2-pyridinyl)propanamide.

Molecular Properties

Compound NameN-(5-amino-2-pyridinyl)-2,2-dimethylpropanamide;2,2-dimethyl-N-(5-nitro-2-pyridinyl)propanamide
PubChem CID157357531
Molecular FormulaC20H28N6O4
Molecular Weight416.48 g/mol
Exact Mass416.22
IUPAC NameN-(5-amino-2-pyridinyl)-2,2-dimethylpropanamide;2,2-dimethyl-N-(5-nitro-2-pyridinyl)propanamide
SMILESCC(C)(C)C(=O)Nc1ccc(N)cn1.CC(C)(C)C(=O)Nc1ccc([N+](=O)[O-])cn1
InChIInChI=1S/C10H13N3O3.C10H15N3O/c1-10(2,3)9(14)12-8-5-4-7(6-11-8)13(15)16;1-10(2,3)9(14)13-8-5-4-7(11)6-12-8/h4-6H,1-3H3,(H,11,12,14);4-6H,11H2,1-3H3,(H,12,13,14)
InChIKeyBIGNLWKERNIECE-UHFFFAOYSA-N
XLogP3.62
TPSA153.14 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 53.62
H-Bond Donors ≤ 53
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'}

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Related Compounds

N-(2,2-dimethylpropyl)-5-nitropyridin-2-amine
CID 59380857
N-(5-tert-butyl-2-pyridinyl)-2,2-dimethylpropanamide
CID 58417149
N-[2-[(5-amino-2-pyridinyl)amino]ethyl]-2,2-dimethylpropanamide
CID 82331443
2-chloro-5-nitropyridine;6-chloropyridin-3-amine
CID 87669080
2-[(5-nitro-2-pyridinyl)amino]acetic acid
CID 3798682
N-(5-nitro-2-pyridinyl)cyclohexanecarboxamide
CID 2931199
N-methyl-2-[(5-nitro-2-pyridinyl)amino]acetamide
CID 16960192
2-[(5-nitro-2-pyridinyl)amino]propanamide
CID 43402589
4-bromo-N-(5-nitro-2-pyridinyl)benzamide
CID 4180609
3-[[(5-nitro-2-pyridinyl)amino]methyl]pentan-3-ol
CID 62059734
N-(5-nitro-2-pyridinyl)-2,2-diphenylacetamide
CID 2867447
N-tert-butyl-2-[(5-nitro-2-pyridinyl)amino]propanamide
CID 112687594

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-pyridinyl)-2,2-dimethylpropanamide;2,2-dimethyl-N-(5-nitro-2-pyridinyl)propanamide?
The IUPAC name of N-(5-amino-2-pyridinyl)-2,2-dimethylpropanamide;2,2-dimethyl-N-(5-nitro-2-pyridinyl)propanamide (CID 157357531) is N-(5-amino-2-pyridinyl)-2,2-dimethylpropanamide;2,2-dimethyl-N-(5-nitro-2-pyridinyl)propanamide.
What is the SMILES notation for N-(5-amino-2-pyridinyl)-2,2-dimethylpropanamide;2,2-dimethyl-N-(5-nitro-2-pyridinyl)propanamide?
The canonical SMILES for N-(5-amino-2-pyridinyl)-2,2-dimethylpropanamide;2,2-dimethyl-N-(5-nitro-2-pyridinyl)propanamide is CC(C)(C)C(=O)Nc1ccc(N)cn1.CC(C)(C)C(=O)Nc1ccc([N+](=O)[O-])cn1.
What is the InChIKey of N-(5-amino-2-pyridinyl)-2,2-dimethylpropanamide;2,2-dimethyl-N-(5-nitro-2-pyridinyl)propanamide?
The InChIKey is BIGNLWKERNIECE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3.C10H15N3O/c1-10(2,3)9(14)12-8-5-4-7(6-11-8)13(15)16;1-10(2,3)9(14)13-8-5-4-7(11)6-12-8/h4-6H,1-3H3,(H,11,12,14);4-6H,11H2,1-3H3,(H,12,13,14).
What are the key properties of N-(5-amino-2-pyridinyl)-2,2-dimethylpropanamide;2,2-dimethyl-N-(5-nitro-2-pyridinyl)propanamide?
N-(5-amino-2-pyridinyl)-2,2-dimethylpropanamide;2,2-dimethyl-N-(5-nitro-2-pyridinyl)propanamide has a molecular weight of 416.48 g/mol, XLogP of 3.62, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-pyridinyl)-2,2-dimethylpropanamide;2,2-dimethyl-N-(5-nitro-2-pyridinyl)propanamide is sourced from PubChem (CID 157357531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).