3-nitro-N-[[(3R)-pyrrolidin-3-yl]methyl]pyridin-2-amine;hydrochloride

C10H15ClN4O2 — CID 71008351

IUPAC3-nitro-N-[[(3R)-pyrrolidin-3-yl]methyl]pyridin-2-amine;hydrochloride
SMILESCl.O=[N+]([O-])c1cccnc1NC[C@@H]1CCNC1
InChIInChI=1S/C10H14N4O2.ClH/c15-14(16)9-2-1-4-12-10(9)13-7-8-3-5-11-6-8;/h1-2,4,8,11H,3,5-7H2,(H,12,13);1H/t8-;/m1./s1
InChIKeyYKMUGVKAZYRILX-DDWIOCJRSA-N
MW258.71 g/mol
LogP1.43
Rot. Bonds4

About 3-nitro-N-[[(3R)-pyrrolidin-3-yl]methyl]pyridin-2-amine;hydrochloride

3-nitro-N-[[(3R)-pyrrolidin-3-yl]methyl]pyridin-2-amine;hydrochloride (PubChem CID 71008351) has the molecular formula C10H15ClN4O2 and a molecular weight of 258.71 g/mol. Its IUPAC name is 3-nitro-N-[[(3R)-pyrrolidin-3-yl]methyl]pyridin-2-amine;hydrochloride.

Molecular Properties

Compound Name3-nitro-N-[[(3R)-pyrrolidin-3-yl]methyl]pyridin-2-amine;hydrochloride
PubChem CID71008351
Molecular FormulaC10H15ClN4O2
Molecular Weight258.71 g/mol
Exact Mass258.09
IUPAC Name3-nitro-N-[[(3R)-pyrrolidin-3-yl]methyl]pyridin-2-amine;hydrochloride
SMILESCl.O=[N+]([O-])c1cccnc1NC[C@@H]1CCNC1
InChIInChI=1S/C10H14N4O2.ClH/c15-14(16)9-2-1-4-12-10(9)13-7-8-3-5-11-6-8;/h1-2,4,8,11H,3,5-7H2,(H,12,13);1H/t8-;/m1./s1
InChIKeyYKMUGVKAZYRILX-DDWIOCJRSA-N
XLogP1.43
TPSA80.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.71
LogP ≤ 51.43
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 3-nitro-N-[[(3R)-pyrrolidin-3-yl]methyl]pyridin-2-amine;hydrochloride 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

3-nitro-N-[(3R)-pyrrolidin-3-yl]pyridin-2-amine;hydrochloride
CID 71635600
3-nitro-N-(oxan-4-ylmethyl)pyridin-2-amine
CID 62350491
3-nitro-N-[(3S)-piperidin-3-yl]pyridin-2-amine;hydrochloride
CID 71635602
5-chloro-3-nitro-N-[[(3R)-pyrrolidin-3-yl]methyl]pyridin-2-amine
CID 71008237
N-cyclopropyl-3-nitropyridin-2-amine;hydrochloride
CID 133059151
3-nitro-N-[[(2R)-oxolan-2-yl]methyl]pyridin-2-amine
CID 28557215
5-fluoro-2-nitro-N-[[(3R)-pyrrolidin-3-yl]methyl]aniline;hydrochloride
CID 66578178
N-(cyclopropylmethyl)-2-[(3-nitro-2-pyridinyl)amino]acetamide
CID 133441803
5-nitro-N-(pyrrolidin-3-ylmethyl)isoquinolin-8-amine
CID 103142263
3-fluoro-N-(piperidin-4-ylmethyl)pyridin-2-amine;dihydrochloride
CID 162422902
N-methyl-3-nitro-N-(piperidin-4-ylmethyl)pyridin-2-amine;hydrochloride
CID 71642416
3-nitro-6-(pyrrolidin-3-ylmethylamino)pyridine-2-carbonitrile
CID 103472537

Frequently Asked Questions

What is the IUPAC name of 3-nitro-N-[[(3R)-pyrrolidin-3-yl]methyl]pyridin-2-amine;hydrochloride?
The IUPAC name of 3-nitro-N-[[(3R)-pyrrolidin-3-yl]methyl]pyridin-2-amine;hydrochloride (CID 71008351) is 3-nitro-N-[[(3R)-pyrrolidin-3-yl]methyl]pyridin-2-amine;hydrochloride.
What is the SMILES notation for 3-nitro-N-[[(3R)-pyrrolidin-3-yl]methyl]pyridin-2-amine;hydrochloride?
The canonical SMILES for 3-nitro-N-[[(3R)-pyrrolidin-3-yl]methyl]pyridin-2-amine;hydrochloride is Cl.O=[N+]([O-])c1cccnc1NC[C@@H]1CCNC1.
What is the InChIKey of 3-nitro-N-[[(3R)-pyrrolidin-3-yl]methyl]pyridin-2-amine;hydrochloride?
The InChIKey is YKMUGVKAZYRILX-DDWIOCJRSA-N. The full InChI is InChI=1S/C10H14N4O2.ClH/c15-14(16)9-2-1-4-12-10(9)13-7-8-3-5-11-6-8;/h1-2,4,8,11H,3,5-7H2,(H,12,13);1H/t8-;/m1./s1.
What are the key properties of 3-nitro-N-[[(3R)-pyrrolidin-3-yl]methyl]pyridin-2-amine;hydrochloride?
3-nitro-N-[[(3R)-pyrrolidin-3-yl]methyl]pyridin-2-amine;hydrochloride has a molecular weight of 258.71 g/mol, XLogP of 1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-N-[[(3R)-pyrrolidin-3-yl]methyl]pyridin-2-amine;hydrochloride is sourced from PubChem (CID 71008351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).