N-cyclopropyl-4-methyl-5-nitro-N-(piperidin-3-ylmethyl)pyridin-2-amine

C15H22N4O2 — CID 106643758

IUPACN-cyclopropyl-4-methyl-5-nitro-N-(piperidin-3-ylmethyl)pyridin-2-amine
SMILESCc1cc(N(CC2CCCNC2)C2CC2)ncc1[N+](=O)[O-]
InChIInChI=1S/C15H22N4O2/c1-11-7-15(17-9-14(11)19(20)21)18(13-4-5-13)10-12-3-2-6-16-8-12/h7,9,12-13,16H,2-6,8,10H2,1H3
InChIKeyVEXAGUSXMMZJHG-UHFFFAOYSA-N
MW290.37 g/mol
LogP2.27
Rot. Bonds5

About N-cyclopropyl-4-methyl-5-nitro-N-(piperidin-3-ylmethyl)pyridin-2-amine

N-cyclopropyl-4-methyl-5-nitro-N-(piperidin-3-ylmethyl)pyridin-2-amine (PubChem CID 106643758) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is N-cyclopropyl-4-methyl-5-nitro-N-(piperidin-3-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-cyclopropyl-4-methyl-5-nitro-N-(piperidin-3-ylmethyl)pyridin-2-amine
PubChem CID106643758
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC NameN-cyclopropyl-4-methyl-5-nitro-N-(piperidin-3-ylmethyl)pyridin-2-amine
SMILESCc1cc(N(CC2CCCNC2)C2CC2)ncc1[N+](=O)[O-]
InChIInChI=1S/C15H22N4O2/c1-11-7-15(17-9-14(11)19(20)21)18(13-4-5-13)10-12-3-2-6-16-8-12/h7,9,12-13,16H,2-6,8,10H2,1H3
InChIKeyVEXAGUSXMMZJHG-UHFFFAOYSA-N
XLogP2.27
TPSA71.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 52.27
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-2-(piperidin-3-ylmethoxy)pyridine
CID 79176367
4-methyl-5-nitro-2-(2-piperidin-3-ylethoxy)pyridine
CID 79176653
4-methyl-5-nitro-N-propyl-N-pyrrolidin-3-ylpyridin-2-amine
CID 79175870
N-cyclopropyl-5-methyl-4-nitro-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine
CID 106600034
4-methyl-5-nitro-N-(2-piperidin-3-ylethyl)pyridin-2-amine
CID 79176343
N-cyclopropyl-4-fluoro-2-nitro-N-(piperidin-3-ylmethyl)aniline
CID 106643724
N-(azetidin-3-yl)-N,4-dimethyl-5-nitropyridin-2-amine
CID 79176539
4-[[cyclopropyl-(4-methyl-5-nitro-2-pyridinyl)amino]methyl]benzonitrile
CID 133329095
N-cyclopropyl-2-methyl-N-(piperidin-3-ylmethyl)pyrimidin-4-amine
CID 106643689
N-methyl-3-nitro-N-[[(3R)-piperidin-3-yl]methyl]pyridin-2-amine
CID 97164455
N-methyl-5-nitro-N-(piperidin-3-ylmethyl)pyridin-2-amine
CID 71642116
N,4-dimethyl-5-nitro-N-(piperidin-2-ylmethyl)pyridin-2-amine
CID 106642055

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-methyl-5-nitro-N-(piperidin-3-ylmethyl)pyridin-2-amine?
The IUPAC name of N-cyclopropyl-4-methyl-5-nitro-N-(piperidin-3-ylmethyl)pyridin-2-amine (CID 106643758) is N-cyclopropyl-4-methyl-5-nitro-N-(piperidin-3-ylmethyl)pyridin-2-amine.
What is the SMILES notation for N-cyclopropyl-4-methyl-5-nitro-N-(piperidin-3-ylmethyl)pyridin-2-amine?
The canonical SMILES for N-cyclopropyl-4-methyl-5-nitro-N-(piperidin-3-ylmethyl)pyridin-2-amine is Cc1cc(N(CC2CCCNC2)C2CC2)ncc1[N+](=O)[O-].
What is the InChIKey of N-cyclopropyl-4-methyl-5-nitro-N-(piperidin-3-ylmethyl)pyridin-2-amine?
The InChIKey is VEXAGUSXMMZJHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-11-7-15(17-9-14(11)19(20)21)18(13-4-5-13)10-12-3-2-6-16-8-12/h7,9,12-13,16H,2-6,8,10H2,1H3.
What are the key properties of N-cyclopropyl-4-methyl-5-nitro-N-(piperidin-3-ylmethyl)pyridin-2-amine?
N-cyclopropyl-4-methyl-5-nitro-N-(piperidin-3-ylmethyl)pyridin-2-amine has a molecular weight of 290.37 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-methyl-5-nitro-N-(piperidin-3-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 106643758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).