N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-methyl-5-nitropyridin-2-amine

C14H22N4O2 — CID 103989953

IUPACN-[(1,4-dimethylpiperidin-4-yl)methyl]-4-methyl-5-nitropyridin-2-amine
SMILESCc1cc(NCC2(C)CCN(C)CC2)ncc1[N+](=O)[O-]
InChIInChI=1S/C14H22N4O2/c1-11-8-13(15-9-12(11)18(19)20)16-10-14(2)4-6-17(3)7-5-14/h8-9H,4-7,10H2,1-3H3,(H,15,16)
InChIKeyNRICHVOYRWYTSB-UHFFFAOYSA-N
MW278.36 g/mol
LogP2.44
Rot. Bonds4

About N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-methyl-5-nitropyridin-2-amine

N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-methyl-5-nitropyridin-2-amine (PubChem CID 103989953) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-methyl-5-nitropyridin-2-amine.

Molecular Properties

Compound NameN-[(1,4-dimethylpiperidin-4-yl)methyl]-4-methyl-5-nitropyridin-2-amine
PubChem CID103989953
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC NameN-[(1,4-dimethylpiperidin-4-yl)methyl]-4-methyl-5-nitropyridin-2-amine
SMILESCc1cc(NCC2(C)CCN(C)CC2)ncc1[N+](=O)[O-]
InChIInChI=1S/C14H22N4O2/c1-11-8-13(15-9-12(11)18(19)20)16-10-14(2)4-6-17(3)7-5-14/h8-9H,4-7,10H2,1-3H3,(H,15,16)
InChIKeyNRICHVOYRWYTSB-UHFFFAOYSA-N
XLogP2.44
TPSA71.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 52.44
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

4-methyl-5-nitro-N-[(1-propylcyclopropyl)methyl]pyridin-2-amine
CID 103761740
N-[(1,4-dimethylpiperidin-4-yl)methyl]-2-nitroaniline
CID 103989902
4-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]-5-nitropyridin-2-amine
CID 79173443
2-N-[(1,4-dimethylpiperidin-4-yl)methyl]-6-N-methyl-3-nitropyridine-2,6-diamine
CID 107165493
4-ethyl-1-[[(4-methyl-5-nitro-2-pyridinyl)amino]methyl]cyclohexan-1-ol
CID 79165262
4-methyl-N-(3-morpholin-4-ylpropyl)-5-nitropyridin-2-amine
CID 79173434
4-methyl-N-(2-methylbutyl)-5-nitropyridin-2-amine
CID 79176219
2-(3,3-dimethylpiperidin-1-yl)-4-methyl-5-nitropyridine
CID 133339436
4-methyl-5-nitro-N-(2-piperidin-1-ylpropyl)pyridin-2-amine
CID 79173745
6-bromo-N-[(1,4-dimethylpiperidin-4-yl)methyl]pyrimidin-4-amine
CID 107164897
4-methyl-N-[(2-methylcyclopropyl)methyl]-5-nitropyridin-2-amine
CID 115669034
N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-methoxy-2-nitroaniline
CID 103989943

Frequently Asked Questions

What is the IUPAC name of N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-methyl-5-nitropyridin-2-amine?
The IUPAC name of N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-methyl-5-nitropyridin-2-amine (CID 103989953) is N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-methyl-5-nitropyridin-2-amine.
What is the SMILES notation for N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-methyl-5-nitropyridin-2-amine?
The canonical SMILES for N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-methyl-5-nitropyridin-2-amine is Cc1cc(NCC2(C)CCN(C)CC2)ncc1[N+](=O)[O-].
What is the InChIKey of N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-methyl-5-nitropyridin-2-amine?
The InChIKey is NRICHVOYRWYTSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-11-8-13(15-9-12(11)18(19)20)16-10-14(2)4-6-17(3)7-5-14/h8-9H,4-7,10H2,1-3H3,(H,15,16).
What are the key properties of N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-methyl-5-nitropyridin-2-amine?
N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-methyl-5-nitropyridin-2-amine has a molecular weight of 278.36 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-methyl-5-nitropyridin-2-amine is sourced from PubChem (CID 103989953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).