N,4-dimethyl-5-nitro-N-(piperidin-2-ylmethyl)pyridin-2-amine

C13H20N4O2 — CID 106642055

IUPACN,4-dimethyl-5-nitro-N-(piperidin-2-ylmethyl)pyridin-2-amine
SMILESCc1cc(N(C)CC2CCCCN2)ncc1[N+](=O)[O-]
InChIInChI=1S/C13H20N4O2/c1-10-7-13(15-8-12(10)17(18)19)16(2)9-11-5-3-4-6-14-11/h7-8,11,14H,3-6,9H2,1-2H3
InChIKeyVUIAGXZTEFIZTL-UHFFFAOYSA-N
MW264.33 g/mol
LogP1.88
Rot. Bonds4

About N,4-dimethyl-5-nitro-N-(piperidin-2-ylmethyl)pyridin-2-amine

N,4-dimethyl-5-nitro-N-(piperidin-2-ylmethyl)pyridin-2-amine (PubChem CID 106642055) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is N,4-dimethyl-5-nitro-N-(piperidin-2-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound NameN,4-dimethyl-5-nitro-N-(piperidin-2-ylmethyl)pyridin-2-amine
PubChem CID106642055
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC NameN,4-dimethyl-5-nitro-N-(piperidin-2-ylmethyl)pyridin-2-amine
SMILESCc1cc(N(C)CC2CCCCN2)ncc1[N+](=O)[O-]
InChIInChI=1S/C13H20N4O2/c1-10-7-13(15-8-12(10)17(18)19)16(2)9-11-5-3-4-6-14-11/h7-8,11,14H,3-6,9H2,1-2H3
InChIKeyVUIAGXZTEFIZTL-UHFFFAOYSA-N
XLogP1.88
TPSA71.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 51.88
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

N-cyclopropyl-5-methyl-4-nitro-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine
CID 106600034
N,2-dimethyl-3-nitro-N-(piperidin-2-ylmethyl)aniline
CID 106642155
5-fluoro-N-methyl-2-nitro-N-(piperidin-2-ylmethyl)aniline
CID 106642153
N-ethyl-5-methyl-3-nitro-N-(piperidin-2-ylmethyl)pyridin-2-amine
CID 106641900
N-methyl-6-nitro-N-[[(2R)-pyrrolidin-2-yl]methyl]quinoxalin-2-amine
CID 97164338
N-cyclopropyl-2-methyl-6-nitro-N-(piperidin-2-ylmethyl)aniline
CID 106641053
N-cyclopropyl-4-methyl-5-nitro-N-(piperidin-3-ylmethyl)pyridin-2-amine
CID 106643758
N-(azetidin-3-yl)-N,4-dimethyl-5-nitropyridin-2-amine
CID 79176539
6-[methyl(piperidin-2-ylmethyl)amino]pyridine-3-carbonitrile
CID 106642122
N-[2-(aminomethyl)cyclopentyl]-N,4-dimethyl-5-nitropyridin-2-amine
CID 79176067
N-methylmethanamine;N,N,4-trimethyl-5-nitropyridin-2-amine
CID 161075001
2-chloro-N,6-dimethyl-N-[[(2S)-piperidin-2-yl]methyl]pyrimidin-4-amine
CID 97164147

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-5-nitro-N-(piperidin-2-ylmethyl)pyridin-2-amine?
The IUPAC name of N,4-dimethyl-5-nitro-N-(piperidin-2-ylmethyl)pyridin-2-amine (CID 106642055) is N,4-dimethyl-5-nitro-N-(piperidin-2-ylmethyl)pyridin-2-amine.
What is the SMILES notation for N,4-dimethyl-5-nitro-N-(piperidin-2-ylmethyl)pyridin-2-amine?
The canonical SMILES for N,4-dimethyl-5-nitro-N-(piperidin-2-ylmethyl)pyridin-2-amine is Cc1cc(N(C)CC2CCCCN2)ncc1[N+](=O)[O-].
What is the InChIKey of N,4-dimethyl-5-nitro-N-(piperidin-2-ylmethyl)pyridin-2-amine?
The InChIKey is VUIAGXZTEFIZTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-10-7-13(15-8-12(10)17(18)19)16(2)9-11-5-3-4-6-14-11/h7-8,11,14H,3-6,9H2,1-2H3.
What are the key properties of N,4-dimethyl-5-nitro-N-(piperidin-2-ylmethyl)pyridin-2-amine?
N,4-dimethyl-5-nitro-N-(piperidin-2-ylmethyl)pyridin-2-amine has a molecular weight of 264.33 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-5-nitro-N-(piperidin-2-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 106642055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).