3-nitro-N-(piperidin-2-ylmethyl)-N-propylpyridin-2-amine

C14H22N4O2 — CID 106642480

IUPAC3-nitro-N-(piperidin-2-ylmethyl)-N-propylpyridin-2-amine
SMILESCCCN(CC1CCCCN1)c1ncccc1[N+](=O)[O-]
InChIInChI=1S/C14H22N4O2/c1-2-10-17(11-12-6-3-4-8-15-12)14-13(18(19)20)7-5-9-16-14/h5,7,9,12,15H,2-4,6,8,10-11H2,1H3
InChIKeyUYLJKOOFXBDFFU-UHFFFAOYSA-N
MW278.36 g/mol
LogP2.35
Rot. Bonds6

About 3-nitro-N-(piperidin-2-ylmethyl)-N-propylpyridin-2-amine

3-nitro-N-(piperidin-2-ylmethyl)-N-propylpyridin-2-amine (PubChem CID 106642480) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 3-nitro-N-(piperidin-2-ylmethyl)-N-propylpyridin-2-amine.

Molecular Properties

Compound Name3-nitro-N-(piperidin-2-ylmethyl)-N-propylpyridin-2-amine
PubChem CID106642480
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name3-nitro-N-(piperidin-2-ylmethyl)-N-propylpyridin-2-amine
SMILESCCCN(CC1CCCCN1)c1ncccc1[N+](=O)[O-]
InChIInChI=1S/C14H22N4O2/c1-2-10-17(11-12-6-3-4-8-15-12)14-13(18(19)20)7-5-9-16-14/h5,7,9,12,15H,2-4,6,8,10-11H2,1H3
InChIKeyUYLJKOOFXBDFFU-UHFFFAOYSA-N
XLogP2.35
TPSA71.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 52.35
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-(cyclopropylmethyl)-3-nitro-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine
CID 106620104
N-propyl-N-(pyrrolidin-2-ylmethyl)isoquinolin-1-amine
CID 106619613
N-(piperidin-2-ylmethyl)-N-propylpyrazolo[1,5-a]pyrazin-4-amine
CID 106642414
N-ethyl-5-methyl-3-nitro-N-(piperidin-2-ylmethyl)pyridin-2-amine
CID 106641900
N-butyl-4-methyl-3-nitro-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine
CID 106620261
N-butyl-3-chloro-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine
CID 106620455
N-benzyl-3-nitro-N-propylpyridin-2-amine
CID 133383842
N-[(2-methyl-3-nitrophenyl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106615844
5-methoxy-2-nitro-N-propyl-N-(pyrrolidin-2-ylmethyl)aniline
CID 106619608
N-butyl-1-methyl-4-nitro-N-(pyrrolidin-2-ylmethyl)pyrazol-3-amine
CID 106620287
6-N-ethyl-3-nitro-6-N-(piperidin-2-ylmethyl)pyridine-2,6-diamine
CID 106641902
N-(2-methylpropyl)-2-nitro-N-(pyrrolidin-2-ylmethyl)pyridin-3-amine
CID 106620644

Frequently Asked Questions

What is the IUPAC name of 3-nitro-N-(piperidin-2-ylmethyl)-N-propylpyridin-2-amine?
The IUPAC name of 3-nitro-N-(piperidin-2-ylmethyl)-N-propylpyridin-2-amine (CID 106642480) is 3-nitro-N-(piperidin-2-ylmethyl)-N-propylpyridin-2-amine.
What is the SMILES notation for 3-nitro-N-(piperidin-2-ylmethyl)-N-propylpyridin-2-amine?
The canonical SMILES for 3-nitro-N-(piperidin-2-ylmethyl)-N-propylpyridin-2-amine is CCCN(CC1CCCCN1)c1ncccc1[N+](=O)[O-].
What is the InChIKey of 3-nitro-N-(piperidin-2-ylmethyl)-N-propylpyridin-2-amine?
The InChIKey is UYLJKOOFXBDFFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-2-10-17(11-12-6-3-4-8-15-12)14-13(18(19)20)7-5-9-16-14/h5,7,9,12,15H,2-4,6,8,10-11H2,1H3.
What are the key properties of 3-nitro-N-(piperidin-2-ylmethyl)-N-propylpyridin-2-amine?
3-nitro-N-(piperidin-2-ylmethyl)-N-propylpyridin-2-amine has a molecular weight of 278.36 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-N-(piperidin-2-ylmethyl)-N-propylpyridin-2-amine is sourced from PubChem (CID 106642480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).