4-methyl-3-nitro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyridin-2-amine

C12H18N4O2 — CID 104972861

IUPAC4-methyl-3-nitro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyridin-2-amine
SMILESCc1ccnc(NCC[C@H]2CCCN2)c1[N+](=O)[O-]
InChIInChI=1S/C12H18N4O2/c1-9-4-7-14-12(11(9)16(17)18)15-8-5-10-3-2-6-13-10/h4,7,10,13H,2-3,5-6,8H2,1H3,(H,14,15)/t10-/m1/s1
InChIKeyCWLCHNIBOQQUJE-SNVBAGLBSA-N
MW250.30 g/mol
LogP1.85
Rot. Bonds5

About 4-methyl-3-nitro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyridin-2-amine

4-methyl-3-nitro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyridin-2-amine (PubChem CID 104972861) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 4-methyl-3-nitro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyridin-2-amine.

Molecular Properties

Compound Name4-methyl-3-nitro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyridin-2-amine
PubChem CID104972861
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name4-methyl-3-nitro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyridin-2-amine
SMILESCc1ccnc(NCC[C@H]2CCCN2)c1[N+](=O)[O-]
InChIInChI=1S/C12H18N4O2/c1-9-4-7-14-12(11(9)16(17)18)15-8-5-10-3-2-6-13-10/h4,7,10,13H,2-3,5-6,8H2,1H3,(H,14,15)/t10-/m1/s1
InChIKeyCWLCHNIBOQQUJE-SNVBAGLBSA-N
XLogP1.85
TPSA80.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.85
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

3-nitro-2-(2-pyrrolidin-2-ylethylamino)pyridine-4-carbonitrile
CID 114794553
3-bromo-4-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyridin-2-amine
CID 106876235
3-methyl-5-nitro-N-(2-pyrrolidin-2-ylethyl)pyridin-2-amine
CID 114794444
3-methyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]pyridin-2-amine
CID 104973363
3-methyl-N-(2-piperidin-2-ylethyl)pyridin-2-amine
CID 83837474
4-methyl-2-nitro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]aniline
CID 104972924
4-methyl-3-nitro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]aniline
CID 104973157
5-nitro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]quinolin-6-amine
CID 104972848
3-ethyl-1-methyl-4-nitro-N-(2-pyrrolidin-2-ylethyl)pyrazol-5-amine
CID 114794452
4-methyl-3-nitro-N-pentylpyridin-2-amine
CID 57153384
5-nitro-N-(2-pyrrolidin-2-ylethyl)pyrimidin-2-amine
CID 114794411
N-(2-pyrrolidin-2-ylethyl)thieno[3,2-c]pyridin-4-amine
CID 114794635

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-nitro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyridin-2-amine?
The IUPAC name of 4-methyl-3-nitro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyridin-2-amine (CID 104972861) is 4-methyl-3-nitro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyridin-2-amine.
What is the SMILES notation for 4-methyl-3-nitro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyridin-2-amine?
The canonical SMILES for 4-methyl-3-nitro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyridin-2-amine is Cc1ccnc(NCC[C@H]2CCCN2)c1[N+](=O)[O-].
What is the InChIKey of 4-methyl-3-nitro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyridin-2-amine?
The InChIKey is CWLCHNIBOQQUJE-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-9-4-7-14-12(11(9)16(17)18)15-8-5-10-3-2-6-13-10/h4,7,10,13H,2-3,5-6,8H2,1H3,(H,14,15)/t10-/m1/s1.
What are the key properties of 4-methyl-3-nitro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyridin-2-amine?
4-methyl-3-nitro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyridin-2-amine has a molecular weight of 250.30 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-nitro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyridin-2-amine is sourced from PubChem (CID 104972861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).