(2R)-N,3,3-trimethyl-2-[(3-nitro-2-pyridinyl)amino]butanamide

C12H18N4O3 — CID 28908227

IUPAC(2R)-N,3,3-trimethyl-2-[(3-nitro-2-pyridinyl)amino]butanamide
SMILESCNC(=O)[C@H](Nc1ncccc1[N+](=O)[O-])C(C)(C)C
InChIInChI=1S/C12H18N4O3/c1-12(2,3)9(11(17)13-4)15-10-8(16(18)19)6-5-7-14-10/h5-7,9H,1-4H3,(H,13,17)(H,14,15)/t9-/m0/s1
InChIKeyBFWXVCBTFKGWGW-VIFPVBQESA-N
MW266.30 g/mol
LogP1.56
Rot. Bonds4

About (2R)-N,3,3-trimethyl-2-[(3-nitro-2-pyridinyl)amino]butanamide

(2R)-N,3,3-trimethyl-2-[(3-nitro-2-pyridinyl)amino]butanamide (PubChem CID 28908227) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is (2R)-N,3,3-trimethyl-2-[(3-nitro-2-pyridinyl)amino]butanamide.

Molecular Properties

Compound Name(2R)-N,3,3-trimethyl-2-[(3-nitro-2-pyridinyl)amino]butanamide
PubChem CID28908227
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Name(2R)-N,3,3-trimethyl-2-[(3-nitro-2-pyridinyl)amino]butanamide
SMILESCNC(=O)[C@H](Nc1ncccc1[N+](=O)[O-])C(C)(C)C
InChIInChI=1S/C12H18N4O3/c1-12(2,3)9(11(17)13-4)15-10-8(16(18)19)6-5-7-14-10/h5-7,9H,1-4H3,(H,13,17)(H,14,15)/t9-/m0/s1
InChIKeyBFWXVCBTFKGWGW-VIFPVBQESA-N
XLogP1.56
TPSA97.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.56
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

N-methyl-3-nitropyridin-2-amine
CID 556349
2-[(3-nitro-2-pyridinyl)amino]-2-phenylacetic acid
CID 62110473
3-[(3-nitro-2-pyridinyl)amino]butanamide
CID 115647564
3-hydroxy-2-[(3-nitro-2-pyridinyl)amino]propanoic acid
CID 82025045
tert-butyl (2S)-4-methyl-2-[(3-nitro-2-pyridinyl)amino]pentanoate
CID 71565361
N-(2,2-dimethylpropyl)-3-nitropyridin-2-amine
CID 61168630
N-tert-butyl-3-nitropyridin-2-amine;ethene
CID 144870417
2-methyl-3-[(3-nitro-2-pyridinyl)amino]propanoic acid
CID 62675905
3-nitro-N-(1-thiophen-2-ylethyl)pyridin-2-amine
CID 43397780
N-(2-methylpropyl)-3-nitropyridin-2-amine;hydrochloride
CID 163342723
3-nitro-N-(2,2,3,3-tetrafluoropropyl)pyridin-2-amine
CID 106293565
N,N-dimethyl-2-[(3-nitro-2-pyridinyl)amino]acetamide
CID 9339733

Frequently Asked Questions

What is the IUPAC name of (2R)-N,3,3-trimethyl-2-[(3-nitro-2-pyridinyl)amino]butanamide?
The IUPAC name of (2R)-N,3,3-trimethyl-2-[(3-nitro-2-pyridinyl)amino]butanamide (CID 28908227) is (2R)-N,3,3-trimethyl-2-[(3-nitro-2-pyridinyl)amino]butanamide.
What is the SMILES notation for (2R)-N,3,3-trimethyl-2-[(3-nitro-2-pyridinyl)amino]butanamide?
The canonical SMILES for (2R)-N,3,3-trimethyl-2-[(3-nitro-2-pyridinyl)amino]butanamide is CNC(=O)[C@H](Nc1ncccc1[N+](=O)[O-])C(C)(C)C.
What is the InChIKey of (2R)-N,3,3-trimethyl-2-[(3-nitro-2-pyridinyl)amino]butanamide?
The InChIKey is BFWXVCBTFKGWGW-VIFPVBQESA-N. The full InChI is InChI=1S/C12H18N4O3/c1-12(2,3)9(11(17)13-4)15-10-8(16(18)19)6-5-7-14-10/h5-7,9H,1-4H3,(H,13,17)(H,14,15)/t9-/m0/s1.
What are the key properties of (2R)-N,3,3-trimethyl-2-[(3-nitro-2-pyridinyl)amino]butanamide?
(2R)-N,3,3-trimethyl-2-[(3-nitro-2-pyridinyl)amino]butanamide has a molecular weight of 266.30 g/mol, XLogP of 1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N,3,3-trimethyl-2-[(3-nitro-2-pyridinyl)amino]butanamide is sourced from PubChem (CID 28908227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).