[1-(6-methyl-5-nitro-2-pyridinyl)piperidin-2-yl]methylurea

C13H19N5O3 — CID 75482703

IUPAC[1-(6-methyl-5-nitro-2-pyridinyl)piperidin-2-yl]methylurea
SMILESCc1nc(N2CCCCC2CNC(N)=O)ccc1[N+](=O)[O-]
InChIInChI=1S/C13H19N5O3/c1-9-11(18(20)21)5-6-12(16-9)17-7-3-2-4-10(17)8-15-13(14)19/h5-6,10H,2-4,7-8H2,1H3,(H3,14,15,19)
InChIKeyOAPYBVIAZJQDAY-UHFFFAOYSA-N
MW293.33 g/mol
LogP1.33
Rot. Bonds4

About [1-(6-methyl-5-nitro-2-pyridinyl)piperidin-2-yl]methylurea

[1-(6-methyl-5-nitro-2-pyridinyl)piperidin-2-yl]methylurea (PubChem CID 75482703) has the molecular formula C13H19N5O3 and a molecular weight of 293.33 g/mol. Its IUPAC name is [1-(6-methyl-5-nitro-2-pyridinyl)piperidin-2-yl]methylurea.

Molecular Properties

Compound Name[1-(6-methyl-5-nitro-2-pyridinyl)piperidin-2-yl]methylurea
PubChem CID75482703
Molecular FormulaC13H19N5O3
Molecular Weight293.33 g/mol
Exact Mass293.15
IUPAC Name[1-(6-methyl-5-nitro-2-pyridinyl)piperidin-2-yl]methylurea
SMILESCc1nc(N2CCCCC2CNC(N)=O)ccc1[N+](=O)[O-]
InChIInChI=1S/C13H19N5O3/c1-9-11(18(20)21)5-6-12(16-9)17-7-3-2-4-10(17)8-15-13(14)19/h5-6,10H,2-4,7-8H2,1H3,(H3,14,15,19)
InChIKeyOAPYBVIAZJQDAY-UHFFFAOYSA-N
XLogP1.33
TPSA114.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 51.33
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

N-[2-[(2R)-1-(6-methyl-5-nitro-2-pyridinyl)piperidin-2-yl]ethyl]methanesulfonamide
CID 125131310
2-methyl-6-[2-(3-methylbutyl)pyrrolidin-1-yl]-3-nitropyridine
CID 133377010
[(2S)-1-(5-chloro-3-nitro-2-pyridinyl)piperidin-2-yl]methylurea
CID 97101938
[4-methyl-1-(6-methyl-5-nitro-2-pyridinyl)piperidin-2-yl]methanamine
CID 103442243
4-[[(2R)-1-(6-methyl-5-nitro-2-pyridinyl)pyrrolidin-2-yl]methyl]morpholine
CID 99714262
[1-(6-amino-5-nitro-2-pyridinyl)azepan-2-yl]methanol
CID 116636858
methyl 1-(6-methyl-5-nitro-2-pyridinyl)piperidine-3-carboxylate
CID 80711750
[3-methyl-1-(6-methyl-5-nitro-2-pyridinyl)pyrrolidin-2-yl]methanol
CID 102787157
1-[[1-(4-methyl-5-nitro-2-pyridinyl)piperidin-2-yl]methyl]-3-phenylurea
CID 133396975
6-(2-ethylpiperidin-1-yl)-3-nitropyridine-2-carbonitrile
CID 133499900
4-(6-methyl-5-nitro-2-pyridinyl)morpholine-3-carboxamide
CID 133452657
methyl 1-(6-amino-5-nitro-2-pyridinyl)piperidine-2-carboxylate
CID 115538245

Frequently Asked Questions

What is the IUPAC name of [1-(6-methyl-5-nitro-2-pyridinyl)piperidin-2-yl]methylurea?
The IUPAC name of [1-(6-methyl-5-nitro-2-pyridinyl)piperidin-2-yl]methylurea (CID 75482703) is [1-(6-methyl-5-nitro-2-pyridinyl)piperidin-2-yl]methylurea.
What is the SMILES notation for [1-(6-methyl-5-nitro-2-pyridinyl)piperidin-2-yl]methylurea?
The canonical SMILES for [1-(6-methyl-5-nitro-2-pyridinyl)piperidin-2-yl]methylurea is Cc1nc(N2CCCCC2CNC(N)=O)ccc1[N+](=O)[O-].
What is the InChIKey of [1-(6-methyl-5-nitro-2-pyridinyl)piperidin-2-yl]methylurea?
The InChIKey is OAPYBVIAZJQDAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O3/c1-9-11(18(20)21)5-6-12(16-9)17-7-3-2-4-10(17)8-15-13(14)19/h5-6,10H,2-4,7-8H2,1H3,(H3,14,15,19).
What are the key properties of [1-(6-methyl-5-nitro-2-pyridinyl)piperidin-2-yl]methylurea?
[1-(6-methyl-5-nitro-2-pyridinyl)piperidin-2-yl]methylurea has a molecular weight of 293.33 g/mol, XLogP of 1.33, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6-methyl-5-nitro-2-pyridinyl)piperidin-2-yl]methylurea is sourced from PubChem (CID 75482703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).