2-(4-amino-3-methylpiperidin-1-yl)-3-nitropyridine-4-carbonitrile

C12H15N5O2 — CID 82812818

IUPAC2-(4-amino-3-methylpiperidin-1-yl)-3-nitropyridine-4-carbonitrile
SMILESCC1CN(c2nccc(C#N)c2[N+](=O)[O-])CCC1N
InChIInChI=1S/C12H15N5O2/c1-8-7-16(5-3-10(8)14)12-11(17(18)19)9(6-13)2-4-15-12/h2,4,8,10H,3,5,7,14H2,1H3
InChIKeyGOAYNBSFTWXHRP-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.03
Rot. Bonds2

About 2-(4-amino-3-methylpiperidin-1-yl)-3-nitropyridine-4-carbonitrile

2-(4-amino-3-methylpiperidin-1-yl)-3-nitropyridine-4-carbonitrile (PubChem CID 82812818) has the molecular formula C12H15N5O2 and a molecular weight of 261.28 g/mol. Its IUPAC name is 2-(4-amino-3-methylpiperidin-1-yl)-3-nitropyridine-4-carbonitrile.

Molecular Properties

Compound Name2-(4-amino-3-methylpiperidin-1-yl)-3-nitropyridine-4-carbonitrile
PubChem CID82812818
Molecular FormulaC12H15N5O2
Molecular Weight261.28 g/mol
Exact Mass261.12
IUPAC Name2-(4-amino-3-methylpiperidin-1-yl)-3-nitropyridine-4-carbonitrile
SMILESCC1CN(c2nccc(C#N)c2[N+](=O)[O-])CCC1N
InChIInChI=1S/C12H15N5O2/c1-8-7-16(5-3-10(8)14)12-11(17(18)19)9(6-13)2-4-15-12/h2,4,8,10H,3,5,7,14H2,1H3
InChIKeyGOAYNBSFTWXHRP-UHFFFAOYSA-N
XLogP1.03
TPSA109.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-(3-aminopyrrolidin-1-yl)-3-nitropyridine-4-carbonitrile
CID 82813337
2-[3-(methylamino)pyrrolidin-1-yl]-3-nitropyridine-4-carbonitrile
CID 82813658
2-[3-(methylaminomethyl)pyrrolidin-1-yl]-3-nitropyridine-4-carbonitrile
CID 82812928
3-methyl-1-(5-nitroquinolin-6-yl)piperidin-4-amine
CID 79874850
2-(3-hydroxy-3-methylazetidin-1-yl)-3-nitropyridine-4-carbonitrile
CID 82813244
3-nitro-2-[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine-4-carbonitrile
CID 75517737
3-methyl-1-(4-methyl-2-pyridinyl)piperidin-4-amine
CID 79868133
2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-nitropyridine-4-carbonitrile
CID 133362932
2-[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]-3-nitropyridine-4-carbonitrile
CID 133464979
2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-3-nitropyridine-4-carbonitrile
CID 75434089
2-[2-(methylaminomethyl)pyrrolidin-1-yl]-3-nitropyridine-4-carbonitrile
CID 82813140
5-(4-amino-3-methylpiperidin-1-yl)pyrazine-2-carbonitrile
CID 79867314

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3-methylpiperidin-1-yl)-3-nitropyridine-4-carbonitrile?
The IUPAC name of 2-(4-amino-3-methylpiperidin-1-yl)-3-nitropyridine-4-carbonitrile (CID 82812818) is 2-(4-amino-3-methylpiperidin-1-yl)-3-nitropyridine-4-carbonitrile.
What is the SMILES notation for 2-(4-amino-3-methylpiperidin-1-yl)-3-nitropyridine-4-carbonitrile?
The canonical SMILES for 2-(4-amino-3-methylpiperidin-1-yl)-3-nitropyridine-4-carbonitrile is CC1CN(c2nccc(C#N)c2[N+](=O)[O-])CCC1N.
What is the InChIKey of 2-(4-amino-3-methylpiperidin-1-yl)-3-nitropyridine-4-carbonitrile?
The InChIKey is GOAYNBSFTWXHRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2/c1-8-7-16(5-3-10(8)14)12-11(17(18)19)9(6-13)2-4-15-12/h2,4,8,10H,3,5,7,14H2,1H3.
What are the key properties of 2-(4-amino-3-methylpiperidin-1-yl)-3-nitropyridine-4-carbonitrile?
2-(4-amino-3-methylpiperidin-1-yl)-3-nitropyridine-4-carbonitrile has a molecular weight of 261.28 g/mol, XLogP of 1.03, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3-methylpiperidin-1-yl)-3-nitropyridine-4-carbonitrile is sourced from PubChem (CID 82812818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).