3-methyl-N-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]-5-nitropyridin-2-amine

C15H24N4O2 — CID 133417515

IUPAC3-methyl-N-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]-5-nitropyridin-2-amine
SMILESCc1cc([N+](=O)[O-])cnc1NC[C@@H]1CCCN1CC(C)C
InChIInChI=1S/C15H24N4O2/c1-11(2)10-18-6-4-5-13(18)8-16-15-12(3)7-14(9-17-15)19(20)21/h7,9,11,13H,4-6,8,10H2,1-3H3,(H,16,17)/t13-/m0/s1
InChIKeyFZUIYUISTGLSLR-ZDUSSCGKSA-N
MW292.38 g/mol
LogP2.83
Rot. Bonds6

About 3-methyl-N-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]-5-nitropyridin-2-amine

3-methyl-N-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]-5-nitropyridin-2-amine (PubChem CID 133417515) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 3-methyl-N-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]-5-nitropyridin-2-amine.

Molecular Properties

Compound Name3-methyl-N-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]-5-nitropyridin-2-amine
PubChem CID133417515
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name3-methyl-N-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]-5-nitropyridin-2-amine
SMILESCc1cc([N+](=O)[O-])cnc1NC[C@@H]1CCCN1CC(C)C
InChIInChI=1S/C15H24N4O2/c1-11(2)10-18-6-4-5-13(18)8-16-15-12(3)7-14(9-17-15)19(20)21/h7,9,11,13H,4-6,8,10H2,1-3H3,(H,16,17)/t13-/m0/s1
InChIKeyFZUIYUISTGLSLR-ZDUSSCGKSA-N
XLogP2.83
TPSA71.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.83
H-Bond Donors ≤ 51
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

2-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methylamino]-5-nitrobenzonitrile
CID 133417367
3-methyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-5-nitropyridin-2-amine
CID 62476863
3-methyl-5-nitro-N-(thian-2-ylmethyl)pyridin-2-amine
CID 80612568
3-methyl-N-(3-methylbutyl)-5-nitropyridin-2-amine
CID 62477027
N-cycloheptyl-N'-(3-methyl-5-nitro-2-pyridinyl)ethane-1,2-diamine
CID 115306690
1-cyclopropyl-N'-(3-methyl-5-nitro-2-pyridinyl)ethane-1,2-diamine
CID 115301466
6-methyl-N-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]pyrimidin-4-amine
CID 133417435
3-methyl-N-[(2-methyloxolan-3-yl)methyl]-5-nitropyridin-2-amine
CID 114106325
3-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]-5-nitropyridin-2-amine
CID 115886021
N-[(2-tert-butyloxan-3-yl)methyl]-3-methyl-5-nitropyridin-2-amine
CID 133308990
[5-chloro-6-[[(2R)-1-(2-methylpropyl)pyrrolidin-2-yl]methylamino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 133417484
2-[(3-methyl-5-nitro-2-pyridinyl)amino]-N-propan-2-ylacetamide
CID 62477037

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]-5-nitropyridin-2-amine?
The IUPAC name of 3-methyl-N-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]-5-nitropyridin-2-amine (CID 133417515) is 3-methyl-N-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]-5-nitropyridin-2-amine.
What is the SMILES notation for 3-methyl-N-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]-5-nitropyridin-2-amine?
The canonical SMILES for 3-methyl-N-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]-5-nitropyridin-2-amine is Cc1cc([N+](=O)[O-])cnc1NC[C@@H]1CCCN1CC(C)C.
What is the InChIKey of 3-methyl-N-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]-5-nitropyridin-2-amine?
The InChIKey is FZUIYUISTGLSLR-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-11(2)10-18-6-4-5-13(18)8-16-15-12(3)7-14(9-17-15)19(20)21/h7,9,11,13H,4-6,8,10H2,1-3H3,(H,16,17)/t13-/m0/s1.
What are the key properties of 3-methyl-N-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]-5-nitropyridin-2-amine?
3-methyl-N-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]-5-nitropyridin-2-amine has a molecular weight of 292.38 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]-5-nitropyridin-2-amine is sourced from PubChem (CID 133417515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).