N-(cyclopropylmethyl)-2-[(3-nitro-2-pyridinyl)amino]acetamide

C11H14N4O3 — CID 133441803

IUPACN-(cyclopropylmethyl)-2-[(3-nitro-2-pyridinyl)amino]acetamide
SMILESO=C(CNc1ncccc1[N+](=O)[O-])NCC1CC1
InChIInChI=1S/C11H14N4O3/c16-10(13-6-8-3-4-8)7-14-11-9(15(17)18)2-1-5-12-11/h1-2,5,8H,3-4,6-7H2,(H,12,14)(H,13,16)
InChIKeyDYCLNPBYSCMIDR-UHFFFAOYSA-N
MW250.26 g/mol
LogP0.93
Rot. Bonds6

About N-(cyclopropylmethyl)-2-[(3-nitro-2-pyridinyl)amino]acetamide

N-(cyclopropylmethyl)-2-[(3-nitro-2-pyridinyl)amino]acetamide (PubChem CID 133441803) has the molecular formula C11H14N4O3 and a molecular weight of 250.26 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-[(3-nitro-2-pyridinyl)amino]acetamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-[(3-nitro-2-pyridinyl)amino]acetamide
PubChem CID133441803
Molecular FormulaC11H14N4O3
Molecular Weight250.26 g/mol
Exact Mass250.11
IUPAC NameN-(cyclopropylmethyl)-2-[(3-nitro-2-pyridinyl)amino]acetamide
SMILESO=C(CNc1ncccc1[N+](=O)[O-])NCC1CC1
InChIInChI=1S/C11H14N4O3/c16-10(13-6-8-3-4-8)7-14-11-9(15(17)18)2-1-5-12-11/h1-2,5,8H,3-4,6-7H2,(H,12,14)(H,13,16)
InChIKeyDYCLNPBYSCMIDR-UHFFFAOYSA-N
XLogP0.93
TPSA97.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 50.93
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'}

Analyze N-(cyclopropylmethyl)-2-[(3-nitro-2-pyridinyl)amino]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(cyclopropylmethyl)-2-[(5-nitroquinolin-8-yl)amino]acetamide
CID 133441769
N-(cyclopropylmethyl)-2-[(4-methyl-3-nitro-2-pyridinyl)amino]acetamide
CID 133441885
3-nitro-N-(oxan-4-ylmethyl)pyridin-2-amine
CID 62350491
N,N-dimethyl-2-[(3-nitro-2-pyridinyl)amino]acetamide
CID 9339733
1-(4-benzylpiperidin-1-yl)-2-[(3-nitro-2-pyridinyl)amino]ethanone
CID 133342478
N-(cyclopropylmethyl)-2-(4-iodo-2-nitroanilino)acetamide
CID 133441931
3-nitro-N-[[(3R)-pyrrolidin-3-yl]methyl]pyridin-2-amine;hydrochloride
CID 71008351
tert-butyl (3R)-3-[[(3-nitro-2-pyridinyl)amino]methyl]piperidine-1-carboxylate
CID 86318245
N-(2-cyclopentyloxyethyl)-3-nitropyridin-2-amine
CID 55031819
N-[2-(4-aminocyclohexyl)oxyethyl]-3-nitropyridin-2-amine
CID 63870698
N-(cyclopropylmethyl)-2-[5-(hydroxymethyl)-2-nitroanilino]acetamide
CID 133441776
3-nitro-N-[[(2R)-oxolan-2-yl]methyl]pyridin-2-amine
CID 28557215

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-[(3-nitro-2-pyridinyl)amino]acetamide?
The IUPAC name of N-(cyclopropylmethyl)-2-[(3-nitro-2-pyridinyl)amino]acetamide (CID 133441803) is N-(cyclopropylmethyl)-2-[(3-nitro-2-pyridinyl)amino]acetamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-[(3-nitro-2-pyridinyl)amino]acetamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-[(3-nitro-2-pyridinyl)amino]acetamide is O=C(CNc1ncccc1[N+](=O)[O-])NCC1CC1.
What is the InChIKey of N-(cyclopropylmethyl)-2-[(3-nitro-2-pyridinyl)amino]acetamide?
The InChIKey is DYCLNPBYSCMIDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O3/c16-10(13-6-8-3-4-8)7-14-11-9(15(17)18)2-1-5-12-11/h1-2,5,8H,3-4,6-7H2,(H,12,14)(H,13,16).
What are the key properties of N-(cyclopropylmethyl)-2-[(3-nitro-2-pyridinyl)amino]acetamide?
N-(cyclopropylmethyl)-2-[(3-nitro-2-pyridinyl)amino]acetamide has a molecular weight of 250.26 g/mol, XLogP of 0.93, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-[(3-nitro-2-pyridinyl)amino]acetamide is sourced from PubChem (CID 133441803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).