N,3-dimethyl-2-[(4-methyl-5-nitro-2-pyridinyl)amino]butanamide

C12H18N4O3 — CID 133388185

IUPACN,3-dimethyl-2-[(4-methyl-5-nitro-2-pyridinyl)amino]butanamide
SMILESCNC(=O)C(Nc1cc(C)c([N+](=O)[O-])cn1)C(C)C
InChIInChI=1S/C12H18N4O3/c1-7(2)11(12(17)13-4)15-10-5-8(3)9(6-14-10)16(18)19/h5-7,11H,1-4H3,(H,13,17)(H,14,15)
InChIKeyHFSNRADWEOOPOT-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.48
Rot. Bonds5

About N,3-dimethyl-2-[(4-methyl-5-nitro-2-pyridinyl)amino]butanamide

N,3-dimethyl-2-[(4-methyl-5-nitro-2-pyridinyl)amino]butanamide (PubChem CID 133388185) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is N,3-dimethyl-2-[(4-methyl-5-nitro-2-pyridinyl)amino]butanamide.

Molecular Properties

Compound NameN,3-dimethyl-2-[(4-methyl-5-nitro-2-pyridinyl)amino]butanamide
PubChem CID133388185
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC NameN,3-dimethyl-2-[(4-methyl-5-nitro-2-pyridinyl)amino]butanamide
SMILESCNC(=O)C(Nc1cc(C)c([N+](=O)[O-])cn1)C(C)C
InChIInChI=1S/C12H18N4O3/c1-7(2)11(12(17)13-4)15-10-5-8(3)9(6-14-10)16(18)19/h5-7,11H,1-4H3,(H,13,17)(H,14,15)
InChIKeyHFSNRADWEOOPOT-UHFFFAOYSA-N
XLogP1.48
TPSA97.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

4-[(4-methyl-5-nitro-2-pyridinyl)amino]pentanoic acid
CID 79174122
(2S)-4-methyl-2-[(4-methyl-5-nitro-2-pyridinyl)amino]pentanoic acid
CID 120964560
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-methyl-5-nitropyridin-2-amine
CID 79173859
4-methyl-2-[(4-methyl-5-nitro-2-pyridinyl)amino]pentan-1-ol
CID 79173544
2-cyclopropyl-2-[(4-methyl-5-nitro-2-pyridinyl)amino]acetic acid
CID 79173611
2-[(4-methyl-5-nitro-2-pyridinyl)amino]hexanoic acid
CID 79173918
1-N,1-N,4-trimethyl-2-N-(4-methyl-5-nitro-2-pyridinyl)pentane-1,2-diamine
CID 79173449
2-(2-chloro-4-methylpentan-3-yl)-4-methyl-5-nitropyridine
CID 79175719
2-N-methyl-5-N-(4-methyl-5-nitro-2-pyridinyl)pyridine-2,5-diamine
CID 71983733
4-methyl-N-(2-methylbutyl)-5-nitropyridin-2-amine
CID 79176219
2-[(4-methyl-5-nitro-2-pyridinyl)amino]-1-(2-methylpiperidin-1-yl)propan-1-one
CID 133343540
5-methyl-3-[[(4-methyl-5-nitro-2-pyridinyl)amino]methyl]hexanoic acid
CID 79165012

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-2-[(4-methyl-5-nitro-2-pyridinyl)amino]butanamide?
The IUPAC name of N,3-dimethyl-2-[(4-methyl-5-nitro-2-pyridinyl)amino]butanamide (CID 133388185) is N,3-dimethyl-2-[(4-methyl-5-nitro-2-pyridinyl)amino]butanamide.
What is the SMILES notation for N,3-dimethyl-2-[(4-methyl-5-nitro-2-pyridinyl)amino]butanamide?
The canonical SMILES for N,3-dimethyl-2-[(4-methyl-5-nitro-2-pyridinyl)amino]butanamide is CNC(=O)C(Nc1cc(C)c([N+](=O)[O-])cn1)C(C)C.
What is the InChIKey of N,3-dimethyl-2-[(4-methyl-5-nitro-2-pyridinyl)amino]butanamide?
The InChIKey is HFSNRADWEOOPOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-7(2)11(12(17)13-4)15-10-5-8(3)9(6-14-10)16(18)19/h5-7,11H,1-4H3,(H,13,17)(H,14,15).
What are the key properties of N,3-dimethyl-2-[(4-methyl-5-nitro-2-pyridinyl)amino]butanamide?
N,3-dimethyl-2-[(4-methyl-5-nitro-2-pyridinyl)amino]butanamide has a molecular weight of 266.30 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-2-[(4-methyl-5-nitro-2-pyridinyl)amino]butanamide is sourced from PubChem (CID 133388185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).