N-cyclopropyl-4-nitro-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine

C13H18N4O2 — CID 106600259

IUPACN-cyclopropyl-4-nitro-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine
SMILESO=[N+]([O-])c1ccnc(N(CC2CCCN2)C2CC2)c1
InChIInChI=1S/C13H18N4O2/c18-17(19)12-5-7-15-13(8-12)16(11-3-4-11)9-10-2-1-6-14-10/h5,7-8,10-11,14H,1-4,6,9H2
InChIKeyHRUOSYRGDVFPES-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.71
Rot. Bonds5

About N-cyclopropyl-4-nitro-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine

N-cyclopropyl-4-nitro-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine (PubChem CID 106600259) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is N-cyclopropyl-4-nitro-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-cyclopropyl-4-nitro-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine
PubChem CID106600259
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC NameN-cyclopropyl-4-nitro-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine
SMILESO=[N+]([O-])c1ccnc(N(CC2CCCN2)C2CC2)c1
InChIInChI=1S/C13H18N4O2/c18-17(19)12-5-7-15-13(8-12)16(11-3-4-11)9-10-2-1-6-14-10/h5,7-8,10-11,14H,1-4,6,9H2
InChIKeyHRUOSYRGDVFPES-UHFFFAOYSA-N
XLogP1.71
TPSA71.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.71
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)-4-nitro-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine
CID 106620134
N-cyclopropyl-5-methyl-4-nitro-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine
CID 106600034
N-cyclopropyl-2-iodo-4-nitro-N-(piperidin-2-ylmethyl)aniline
CID 106640984
N-cyclopropyl-N-(piperidin-2-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine
CID 106641229
2-bromo-N-cyclopropyl-4-nitro-N-(piperidin-2-ylmethyl)aniline
CID 106640951
N-cyclopropyl-2-methyl-5-nitro-N-(piperidin-2-ylmethyl)aniline
CID 106641222
4-nitro-N-propyl-N-pyrrolidin-3-ylpyridin-2-amine
CID 63304533
N-cyclopropyl-3-fluoro-2-nitro-N-(pyrrolidin-2-ylmethyl)aniline
CID 106600163
N-methyl-6-nitro-N-[[(2R)-pyrrolidin-2-yl]methyl]quinoxalin-2-amine
CID 97164338
N-cyclopropyl-5-nitro-N-(piperidin-2-ylmethyl)-1,3-thiazol-2-amine
CID 106641069
N-cyclopropyl-5-fluoro-2-nitro-N-(piperidin-2-ylmethyl)aniline
CID 106641136
N-ethyl-4-nitro-N-(piperidin-4-ylmethyl)pyridin-2-amine
CID 79719680

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-nitro-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine?
The IUPAC name of N-cyclopropyl-4-nitro-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine (CID 106600259) is N-cyclopropyl-4-nitro-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine.
What is the SMILES notation for N-cyclopropyl-4-nitro-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine?
The canonical SMILES for N-cyclopropyl-4-nitro-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine is O=[N+]([O-])c1ccnc(N(CC2CCCN2)C2CC2)c1.
What is the InChIKey of N-cyclopropyl-4-nitro-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine?
The InChIKey is HRUOSYRGDVFPES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c18-17(19)12-5-7-15-13(8-12)16(11-3-4-11)9-10-2-1-6-14-10/h5,7-8,10-11,14H,1-4,6,9H2.
What are the key properties of N-cyclopropyl-4-nitro-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine?
N-cyclopropyl-4-nitro-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine has a molecular weight of 262.31 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-nitro-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 106600259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).