3-nitro-N-(piperidin-4-ylmethyl)-N-propylpyridin-4-amine

C14H22N4O2 — CID 79719980

IUPAC3-nitro-N-(piperidin-4-ylmethyl)-N-propylpyridin-4-amine
SMILESCCCN(CC1CCNCC1)c1ccncc1[N+](=O)[O-]
InChIInChI=1S/C14H22N4O2/c1-2-9-17(11-12-3-6-15-7-4-12)13-5-8-16-10-14(13)18(19)20/h5,8,10,12,15H,2-4,6-7,9,11H2,1H3
InChIKeyMJGNLTNDMZYCIZ-UHFFFAOYSA-N
MW278.36 g/mol
LogP2.21
Rot. Bonds6

About 3-nitro-N-(piperidin-4-ylmethyl)-N-propylpyridin-4-amine

3-nitro-N-(piperidin-4-ylmethyl)-N-propylpyridin-4-amine (PubChem CID 79719980) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 3-nitro-N-(piperidin-4-ylmethyl)-N-propylpyridin-4-amine.

Molecular Properties

Compound Name3-nitro-N-(piperidin-4-ylmethyl)-N-propylpyridin-4-amine
PubChem CID79719980
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name3-nitro-N-(piperidin-4-ylmethyl)-N-propylpyridin-4-amine
SMILESCCCN(CC1CCNCC1)c1ccncc1[N+](=O)[O-]
InChIInChI=1S/C14H22N4O2/c1-2-9-17(11-12-3-6-15-7-4-12)13-5-8-16-10-14(13)18(19)20/h5,8,10,12,15H,2-4,6-7,9,11H2,1H3
InChIKeyMJGNLTNDMZYCIZ-UHFFFAOYSA-N
XLogP2.21
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 ≤ 52.21
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

6-methyl-3-nitro-N-(piperidin-4-ylmethyl)-N-propylpyridin-2-amine
CID 81139190
5-nitro-N-(piperidin-4-ylmethyl)-N-propylpyrimidin-2-amine
CID 79719258
2-[cyclopropylmethyl-(3-nitro-4-pyridinyl)amino]acetic acid
CID 43656324
1-methyl-4-nitro-N-(piperidin-4-ylmethyl)-N-propylpyrazol-3-amine
CID 103080325
4-nitro-N-(piperidin-4-ylmethyl)-N-propylpyridin-2-amine
CID 79719766
N-ethyl-4-methyl-2-nitro-N-(piperidin-4-ylmethyl)aniline
CID 79719675
N-ethyl-3-nitro-N-piperidin-3-ylpyridin-4-amine
CID 63638439
2-[2-hydroxyethyl-(3-nitro-4-pyridinyl)amino]ethanol
CID 61234932
5-bromo-N-ethyl-2-nitro-N-(piperidin-4-ylmethyl)aniline
CID 79720247
N-methyl-3-nitro-N-(piperidin-4-ylmethyl)pyridin-2-amine;hydrochloride
CID 71642416
N-(cyclopropylmethyl)-4-nitro-N-propylnaphthalen-1-amine
CID 11482997
N-ethyl-4-nitro-N-(piperidin-4-ylmethyl)pyridin-2-amine
CID 79719680

Frequently Asked Questions

What is the IUPAC name of 3-nitro-N-(piperidin-4-ylmethyl)-N-propylpyridin-4-amine?
The IUPAC name of 3-nitro-N-(piperidin-4-ylmethyl)-N-propylpyridin-4-amine (CID 79719980) is 3-nitro-N-(piperidin-4-ylmethyl)-N-propylpyridin-4-amine.
What is the SMILES notation for 3-nitro-N-(piperidin-4-ylmethyl)-N-propylpyridin-4-amine?
The canonical SMILES for 3-nitro-N-(piperidin-4-ylmethyl)-N-propylpyridin-4-amine is CCCN(CC1CCNCC1)c1ccncc1[N+](=O)[O-].
What is the InChIKey of 3-nitro-N-(piperidin-4-ylmethyl)-N-propylpyridin-4-amine?
The InChIKey is MJGNLTNDMZYCIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-2-9-17(11-12-3-6-15-7-4-12)13-5-8-16-10-14(13)18(19)20/h5,8,10,12,15H,2-4,6-7,9,11H2,1H3.
What are the key properties of 3-nitro-N-(piperidin-4-ylmethyl)-N-propylpyridin-4-amine?
3-nitro-N-(piperidin-4-ylmethyl)-N-propylpyridin-4-amine has a molecular weight of 278.36 g/mol, XLogP of 2.21, 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-4-ylmethyl)-N-propylpyridin-4-amine is sourced from PubChem (CID 79719980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).